$ ../testhess.exe

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  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
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 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 Compute Analytical Hessian Matrix [Y] :  Y

 Compute Numerical Hessian Matrix [Y] :   Y

 Numerical Hessian from Gradient or Function [G] :  H

 Enter Finite Difference Stepsize [ 0.1D-04 Ang] :  0.1

 List Individual Hessian Components [N] :   Y

 Comparison of Analytical and Numerical Hessian Elements :

   1st Atom    2nd Atom         Analytical        Numerical       Difference

      1 (X)       1 (X)           757.7666         752.0502           5.7164
      1 (X)       1 (Y)             0.0183           0.0178           0.0005
      1 (X)       1 (Z)          -175.6553        -176.9551           1.2998
      1 (X)       2 (X)          -314.4367        -311.3411          -3.0955
      1 (X)       2 (Y)          -339.3072        -337.7670          -1.5402
      1 (X)       2 (Z)           167.0856         166.4318           0.6538
      1 (X)       3 (X)          -314.4926        -311.3966          -3.0960
      1 (X)       3 (Y)           339.2441         337.7051           1.5390
      1 (X)       3 (Z)           167.2908         166.6365           0.6543
      1 (X)       4 (X)          -108.1314        -108.4367           0.3052
      1 (X)       4 (Y)             0.0449           0.0442           0.0007
      1 (X)       4 (Z)          -158.9920        -156.3854          -2.6066
      1 (X)       5 (X)           -10.4146         -10.4631           0.0485
      1 (X)       5 (Z)             0.6505           0.6487           0.0018
      1 (X)       6 (X)             1.0129           1.0139          -0.0010
      1 (X)       6 (Y)            -0.1003          -0.1012           0.0010
      1 (X)       6 (Z)             0.0936           0.0941          -0.0005
      1 (X)       7 (X)           -12.3169         -12.4402           0.1233
      1 (X)       7 (Z)            -0.5666          -0.5646          -0.0020
      1 (X)       8 (X)             1.0127           1.0137          -0.0010
      1 (X)       8 (Y)             0.1002           0.1012          -0.0010
      1 (X)       8 (Z)             0.0935           0.0940          -0.0005
      1 (Y)       1 (Y)          1539.2216        1545.1669          -5.9453
      1 (Y)       1 (Z)             0.0064           0.0088          -0.0024
      1 (Y)       2 (X)          -412.8504        -418.6757           5.8253
      1 (Y)       2 (Y)          -688.7165        -691.3395           2.6230
      1 (Y)       2 (Z)           223.6649         228.4922          -4.8273
      1 (Y)       3 (X)           412.7633         418.5810          -5.8177
      1 (Y)       3 (Y)          -688.4089        -691.0198           2.6109
      1 (Y)       3 (Z)          -223.8936        -228.7200           4.8264
      1 (Y)       4 (X)             0.0693           0.0686           0.0007
      1 (Y)       4 (Y)          -159.5814        -160.3333           0.7519
      1 (Y)       4 (Z)             0.2224           0.2192           0.0033
      1 (Y)       5 (Y)             4.2603           4.2484           0.0119
      1 (Y)       6 (X)             1.1157           1.1124           0.0033
      1 (Y)       6 (Y)            -0.2160          -0.2174           0.0014
      1 (Y)       6 (Z)             0.5029           0.5018           0.0011
      1 (Y)       7 (Y)            -6.3431          -6.2880          -0.0552
      1 (Y)       8 (X)            -1.1157          -1.1124          -0.0033
      1 (Y)       8 (Y)            -0.2160          -0.2174           0.0014
      1 (Y)       8 (Z)            -0.5029          -0.5018          -0.0011
      1 (Z)       1 (Z)          1507.3344        1521.5930         -14.2586
      1 (Z)       2 (X)           211.1182         209.6827           1.4355
      1 (Z)       2 (Y)           238.6836         236.8042           1.8795
      1 (Z)       2 (Z)          -256.6668        -254.9531          -1.7136
      1 (Z)       3 (X)           211.3656         209.9311           1.4345
      1 (Z)       3 (Y)          -238.9076        -237.0307          -1.8769
      1 (Z)       3 (Z)          -256.9228        -255.2049          -1.7179
      1 (Z)       4 (X)          -245.1699        -250.4247           5.2547
      1 (Z)       4 (Y)             0.2204           0.2285          -0.0081
      1 (Z)       4 (Z)          -989.4507       -1007.1967          17.7460
      1 (Z)       5 (X)             4.5340           4.5110           0.0230
      1 (Z)       5 (Z)             5.2515           5.2268           0.0247
      1 (Z)       6 (X)            -1.3155          -1.3079          -0.0076
      1 (Z)       6 (Y)             0.9758           0.9711           0.0047
      1 (Z)       6 (Z)            -0.6156          -0.6136          -0.0021
      1 (Z)       7 (X)            -3.5623          -3.5337          -0.0286
      1 (Z)       7 (Z)            -8.3145          -8.2381          -0.0764
      1 (Z)       8 (X)            -1.3148          -1.3073          -0.0076
      1 (Z)       8 (Y)            -0.9756          -0.9710          -0.0047
      1 (Z)       8 (Z)            -0.6154          -0.6133          -0.0021
      2 (X)       2 (X)           266.7379         264.1102           2.6277
      2 (X)       2 (Y)           360.0408         358.7843           1.2565
      2 (X)       2 (Z)          -182.0607        -181.4635          -0.5972
      2 (X)       3 (X)            33.2407          33.1581           0.0826
      2 (X)       3 (Y)            31.6946          31.6302           0.0644
      2 (X)       3 (Z)           -26.5754         -26.5404          -0.0350
      2 (X)       4 (X)            14.5039          14.4580           0.0458
      2 (X)       4 (Y)            21.7442          21.7011           0.0431
      2 (X)       4 (Z)            -2.5019          -2.4942          -0.0077
      2 (X)       5 (X)             0.2532           0.2544          -0.0012
      2 (X)       5 (Y)             0.5984           0.5980           0.0004
      2 (X)       5 (Z)            -0.1699          -0.1692          -0.0006
      2 (X)       6 (X)             0.0933           0.0928           0.0005
      2 (X)       6 (Y)            -0.0422          -0.0419          -0.0003
      2 (X)       6 (Z)             0.0920           0.0918           0.0002
      2 (X)       7 (X)            -0.0822          -0.0851           0.0029
      2 (X)       7 (Z)             0.1483           0.1468           0.0015
      2 (X)       8 (X)            -0.3100          -0.3104           0.0004
      2 (Y)       2 (Y)           700.6715         703.7380          -3.0665
      2 (Y)       2 (Z)          -263.8054        -268.3630           4.5576
      2 (Y)       3 (X)           -31.6754         -31.8152           0.1398
      2 (Y)       3 (Y)           -30.5811         -30.7149           0.1337
      2 (Y)       3 (Z)            26.1792          26.2917          -0.1124
      2 (Y)       4 (X)            10.6946          10.7159          -0.0213
      2 (Y)       4 (Y)            18.1434          18.1101           0.0333
      2 (Y)       4 (Z)            -1.8117          -1.8154           0.0037
      2 (Y)       5 (X)            -0.5195          -0.5187          -0.0008
      2 (Y)       5 (Y)            -0.5357          -0.5363           0.0006
      2 (Y)       6 (X)             0.0059           0.0055           0.0004
      2 (Y)       6 (Z)             0.0070           0.0069           0.0001
      2 (Y)       7 (X)             0.4430           0.4407           0.0024
      2 (Y)       7 (Y)             0.9040           0.9053          -0.0013
      2 (Y)       7 (Z)             1.1232           1.1229           0.0004
      2 (Z)       2 (Z)           238.8993         237.4559           1.4434
      2 (Z)       3 (X)           -26.5913         -26.5399          -0.0514
      2 (Z)       3 (Y)           -26.2110         -26.1541          -0.0570
      2 (Z)       3 (Z)            23.1550          23.0965           0.0585
      2 (Z)       4 (X)            41.0257          41.0924          -0.0667
      2 (Z)       4 (Y)            65.9097          66.0875          -0.1777
      2 (Z)       4 (Z)            -6.9765          -6.9881           0.0116
      2 (Z)       5 (X)            -1.2648          -1.2632          -0.0016
      2 (Z)       5 (Y)            -0.4589          -0.4580          -0.0009
      2 (Z)       5 (Z)            -1.2438          -1.2418          -0.0020
      2 (Z)       6 (X)             0.2488           0.2486           0.0002
      2 (Z)       6 (Y)            -0.2200          -0.2197          -0.0004
      2 (Z)       6 (Z)             0.1174           0.1173           0.0001
      2 (Z)       7 (X)             1.0826           1.0820           0.0006
      2 (Z)       7 (Y)             0.8129           0.8107           0.0022
      2 (Z)       7 (Z)             2.4480           2.4434           0.0046
      2 (Z)       8 (X)             0.4737           0.4730           0.0008
      2 (Z)       8 (Y)             0.3040           0.3035           0.0004
      2 (Z)       8 (Z)             0.2677           0.2673           0.0003
      3 (X)       3 (X)           266.7916         264.1635           2.6281
      3 (X)       3 (Y)          -359.9739        -358.7185          -1.2553
      3 (X)       3 (Z)          -182.2802        -181.6826          -0.5976
      3 (X)       4 (X)            14.5061          14.4603           0.0459
      3 (X)       4 (Y)           -21.7422         -21.6991          -0.0431
      3 (X)       4 (Z)            -2.5140          -2.5062          -0.0077
      3 (X)       5 (X)             0.2527           0.2540          -0.0012
      3 (X)       5 (Y)            -0.5988          -0.5984          -0.0004
      3 (X)       5 (Z)            -0.1703          -0.1697          -0.0006
      3 (X)       6 (X)            -0.3100          -0.3104           0.0004
      3 (X)       7 (X)            -0.0819          -0.0849           0.0029
      3 (X)       7 (Z)             0.1492           0.1476           0.0015
      3 (X)       8 (X)             0.0936           0.0931           0.0005
      3 (X)       8 (Y)             0.0423           0.0421           0.0003
      3 (X)       8 (Z)             0.0921           0.0919           0.0002
      3 (Y)       3 (Y)           700.3309         703.3856          -3.0547
      3 (Y)       3 (Z)           264.0485         268.6053          -4.5569
      3 (Y)       4 (X)           -10.7175         -10.7388           0.0213
      3 (Y)       4 (Y)            18.1776          18.1442           0.0334
      3 (Y)       4 (Z)             1.8254           1.8290          -0.0037
      3 (Y)       5 (X)             0.5199           0.5191           0.0008
      3 (Y)       5 (Y)            -0.5370          -0.5377           0.0006
      3 (Y)       7 (X)            -0.4435          -0.4411          -0.0024
      3 (Y)       7 (Y)             0.9064           0.9078          -0.0013
      3 (Y)       7 (Z)            -1.1239          -1.1236          -0.0004
      3 (Y)       8 (X)            -0.0056          -0.0052          -0.0004
      3 (Y)       8 (Z)            -0.0069          -0.0067          -0.0001
      3 (Z)       3 (Z)           239.1910         237.7436           1.4474
      3 (Z)       4 (X)            41.0244          41.0913          -0.0669
      3 (Z)       4 (Y)           -65.8943         -66.0721           0.1779
      3 (Z)       4 (Z)            -7.0117          -7.0235           0.0118
      3 (Z)       5 (X)            -1.2642          -1.2626          -0.0016
      3 (Z)       5 (Y)             0.4603           0.4594           0.0009
      3 (Z)       5 (Z)            -1.2432          -1.2412          -0.0020
      3 (Z)       6 (X)             0.4740           0.4732           0.0008
      3 (Z)       6 (Y)            -0.3040          -0.3035          -0.0004
      3 (Z)       6 (Z)             0.2678           0.2674           0.0003
      3 (Z)       7 (X)             1.0822           1.0816           0.0006
      3 (Z)       7 (Y)            -0.8154          -0.8132          -0.0022
      3 (Z)       7 (Z)             2.4468           2.4422           0.0046
      3 (Z)       8 (X)             0.2482           0.2480           0.0002
      3 (Z)       8 (Y)             0.2198           0.2194           0.0004
      3 (Z)       8 (Z)             0.1172           0.1171           0.0001
      4 (X)       4 (X)            79.2352          79.5317          -0.2965
      4 (X)       4 (Y)            -0.0470          -0.0464          -0.0006
      4 (X)       4 (Z)           164.1745         162.0999           2.0746
      4 (X)       5 (X)             1.5139           1.5123           0.0016
      4 (X)       5 (Z)             0.9959           0.9949           0.0010
      4 (X)       6 (X)            -0.4640          -0.4639          -0.0002
      4 (X)       6 (Y)             0.2394           0.2393           0.0001
      4 (X)       6 (Z)            -0.1278          -0.1276          -0.0001
      4 (X)       7 (X)            -0.6996          -0.7001           0.0005
      4 (X)       7 (Z)            -1.7951          -1.7947          -0.0003
      4 (X)       8 (X)            -0.4641          -0.4640          -0.0002
      4 (X)       8 (Y)            -0.2394          -0.2393          -0.0001
      4 (X)       8 (Z)            -0.1278          -0.1276          -0.0001
      4 (Y)       4 (Y)           121.8660         122.7805          -0.9145
      4 (Y)       4 (Z)            -0.2365          -0.2334          -0.0031
      4 (Y)       5 (Y)            -1.6390          -1.6363          -0.0027
      4 (Y)       6 (X)            -0.4222          -0.4214          -0.0008
      4 (Y)       6 (Y)             0.1513           0.1511           0.0001
      4 (Y)       6 (Z)            -0.2360          -0.2357          -0.0003
      4 (Y)       7 (Y)             2.7320           2.7257           0.0062
      4 (Y)       8 (X)             0.4225           0.4217           0.0008
      4 (Y)       8 (Y)             0.1515           0.1513           0.0001
      4 (Y)       8 (Z)             0.2361           0.2358           0.0003
      4 (Z)       4 (Z)          1003.5884        1021.4068         -17.8185
      4 (Z)       5 (X)             0.0655           0.0649           0.0006
      4 (Z)       5 (Z)            -0.1823          -0.1825           0.0002
      4 (Z)       6 (X)            -0.0360          -0.0359          -0.0002
      4 (Z)       7 (X)            -0.1603          -0.1598          -0.0004
      4 (Z)       7 (Z)            -0.0140          -0.0130          -0.0009
      4 (Z)       8 (X)            -0.0358          -0.0356          -0.0002
      5 (X)       5 (X)          1466.8238        1482.4030         -15.5793
      5 (X)       5 (Z)           191.5853         184.0908           7.4945
      5 (X)       6 (X)          -237.6551        -236.2660          -1.3892
      5 (X)       6 (Y)          -226.8788        -224.8774          -2.0014
      5 (X)       6 (Z)          -206.5921        -205.0603          -1.5319
      5 (X)       7 (X)          -983.1196       -1001.4308          18.3112
      5 (X)       7 (Z)           219.5303         223.9586          -4.4283
      5 (X)       8 (X)          -237.6543        -236.2651          -1.3891
      5 (X)       8 (Y)           226.8773         224.8759           2.0014
      5 (X)       8 (Z)          -206.5941        -205.0622          -1.5319
      5 (Y)       5 (Y)          1534.8532        1541.0709          -6.2177
      5 (Y)       6 (X)          -207.5667        -212.1421           4.5754
      5 (Y)       6 (Y)          -689.3879        -692.0697           2.6818
      5 (Y)       6 (Z)          -425.7309        -431.7379           6.0070
      5 (Y)       7 (Y)          -157.5997        -158.4685           0.8689
      5 (Y)       8 (X)           207.5655         212.1409          -4.5753
      5 (Y)       8 (Y)          -689.3846        -692.0663           2.6816
      5 (Y)       8 (Z)           425.7365         431.7435          -6.0070
      5 (Z)       5 (Z)           762.5647         756.6643           5.9004
      5 (Z)       6 (X)          -161.0288        -160.5088          -0.5199
      5 (Z)       6 (Y)          -350.7412        -349.4280          -1.3132
      5 (Z)       6 (Z)          -330.6166        -327.3980          -3.2185
      5 (Z)       7 (X)           129.1679         126.8588           2.3091
      5 (Z)       7 (Z)          -103.9062        -104.4460           0.5398
      5 (Z)       8 (X)          -161.0307        -160.5108          -0.5199
      5 (Z)       8 (Y)           350.7466         349.4335           1.3131
      5 (Z)       8 (Z)          -330.6241        -327.4055          -3.2186
      6 (X)       6 (X)           223.1338         221.9019           1.2319
      6 (X)       6 (Y)           249.7749         247.8963           1.8786
      6 (X)       6 (Z)           178.5021         177.2628           1.2394
      6 (X)       7 (X)            -6.3378          -6.3475           0.0097
      6 (X)       7 (Y)           -67.0341         -67.2068           0.1727
      6 (X)       7 (Z)           -42.9430         -43.0129           0.0698
      6 (X)       8 (X)            20.5268          20.4770           0.0498
      6 (X)       8 (Y)            24.5130          24.4594           0.0536
      6 (X)       8 (Z)            26.0984          26.0449           0.0535
      6 (Y)       6 (Y)           702.6560         705.7466          -3.0906
      6 (Y)       6 (Z)           372.3673         378.3117          -5.9445
      6 (Y)       7 (X)             1.4746           1.4775          -0.0029
      6 (Y)       7 (Y)            16.9450          16.9135           0.0315
      6 (Y)       7 (Z)            10.6160          10.6359          -0.0198
      6 (Y)       8 (X)           -24.5125         -24.6187           0.1062
      6 (Y)       8 (Y)           -30.2908         -30.4241           0.1333
      6 (Y)       8 (Z)           -32.6867         -32.8315           0.1448
      6 (Z)       6 (Z)           281.4472         278.7203           2.7270
      6 (Z)       7 (X)             1.9846           1.9783           0.0064
      6 (Z)       7 (Y)            20.5517          20.5146           0.0371
      6 (Z)       7 (Z)            13.8709          13.8256           0.0452
      6 (Z)       8 (X)            26.0982          26.0656           0.0326
      6 (Z)       8 (Y)            32.6870          32.6205           0.0665
      6 (Z)       8 (Z)            35.5055          35.4184           0.0871
      7 (X)       7 (X)          1008.9755        1027.4354         -18.4599
      7 (X)       7 (Z)          -131.5794        -135.8226           4.2431
      7 (X)       8 (X)            -6.3376          -6.3534           0.0158
      7 (X)       8 (Y)            -1.4746          -1.4773           0.0027
      7 (X)       8 (Z)             1.9846           1.9941          -0.0095
      7 (Y)       7 (Y)           125.5109         126.4348          -0.9239
      7 (Y)       8 (X)            67.1015          67.0848           0.0166
      7 (Y)       8 (Y)            16.9755          17.0188          -0.0433
      7 (Y)       8 (Z)           -20.5497         -20.4724          -0.0772
      7 (Z)       7 (Z)            79.5979          80.0608          -0.4629
      7 (Z)       8 (X)           -42.9436         -42.8654          -0.0782
      7 (Z)       8 (Y)           -10.6159         -10.5765          -0.0395
      7 (Z)       8 (Z)            13.8711          13.8798          -0.0087
      8 (X)       8 (X)           223.1328         221.9009           1.2319
      8 (X)       8 (Y)          -249.7736        -247.8949          -1.8786
      8 (X)       8 (Z)           178.5044         177.2650           1.2394
      8 (Y)       8 (Y)           702.6532         705.7436          -3.0904
      8 (Y)       8 (Z)          -372.3733        -378.3178           5.9444
      8 (Z)       8 (Z)           281.4545         278.7275           2.7270

 Diagonal Hessian Elements for Each Atom :

      Atom                 X               Y               Z

         1             757.7666       1539.2216       1507.3344
         2             266.7379        700.6715        238.8993
         3             266.7916        700.3309        239.1910
         4              79.2352        121.8660       1003.5884
         5            1466.8238       1534.8532        762.5647
         6             223.1338        702.6560        281.4472
         7            1008.9755        125.5109         79.5979
         8             223.1328        702.6532        281.4545

 Sum of Diagonal Hessian Elements :            14814.4380

 3x3 Hessian Block for Atoms :          1       1

 Numer             752.0502          0.0178       -176.9551
 Numer               0.0258       1545.1669          0.0088
 Numer            -167.5513         -0.0029       1521.5930

 3x3 Hessian Block for Atoms :          1       2

 Numer            -311.6780       -411.4884        210.4800
 Numer            -344.9222       -691.6135        243.1324
 Numer             165.8002        221.6417       -255.1505

 3x3 Hessian Block for Atoms :          1       3

 Numer            -311.7333        411.4006        210.7259
 Numer             344.8520       -691.2970       -243.3564
 Numer             166.0061       -221.8688       -255.4017

 3x3 Hessian Block for Atoms :          1       4

 Numer            -108.4275          0.0697       -242.9358
 Numer               0.0446       -160.5592          0.2153
 Numer            -164.0075          0.2299      -1007.2286

 3x3 Hessian Block for Atoms :          1       5

 Numer             -10.4588          0.0000          4.5376
 Numer               0.0000          4.2081          0.0002
 Numer               0.6452          0.0001          5.2590

 3x3 Hessian Block for Atoms :          1       6

 Numer               1.0111          1.0326         -1.3115
 Numer              -0.1009         -0.1793          0.9756
 Numer               0.0940          0.4992         -0.6168

 3x3 Hessian Block for Atoms :          1       7

 Numer             -12.4234          0.0003         -3.5683
 Numer               0.0000         -6.3440         -0.0002
 Numer              -0.5630         -0.0002         -8.2848

 3x3 Hessian Block for Atoms :          1       8

 Numer               1.0111         -1.0326         -1.3116
 Numer               0.1009         -0.1794         -0.9756
 Numer               0.0940         -0.4992         -0.6168

 3x3 Hessian Block for Atoms :          2       1

 Numer            -311.3411       -337.7670        166.4318
 Numer            -418.6757       -691.3395        228.4922
 Numer             209.6827        236.8042       -254.9531

 3x3 Hessian Block for Atoms :          2       2

 Numer             264.1102        358.7843       -181.4635
 Numer             365.7766        703.7380       -268.3630
 Numer            -180.8930       -262.0116        237.4559

 3x3 Hessian Block for Atoms :          2       3

 Numer              33.1578        -31.6106        -26.5557
 Numer              31.8341        -30.7145        -26.3232
 Numer             -26.5238         26.1220         23.0961

 3x3 Hessian Block for Atoms :          2       4

 Numer              14.5047         10.6570         40.9460
 Numer              21.6696         18.1770         65.8898
 Numer              -2.5143         -1.8141         -6.9971

 3x3 Hessian Block for Atoms :          2       5

 Numer               0.2531         -0.5200         -1.2655
 Numer               0.5901         -0.5291         -0.4543
 Numer              -0.1697         -0.5232         -1.2460

 3x3 Hessian Block for Atoms :          2       6

 Numer               0.0796          0.0160          0.2556
 Numer              -0.0361         -0.0686         -0.2234
 Numer               0.0915          0.0075          0.1180

 3x3 Hessian Block for Atoms :          2       7

 Numer              -0.0822          0.4430          1.0830
 Numer              -1.1389          0.9051          0.8145
 Numer               0.1481          1.1200          2.4410

 3x3 Hessian Block for Atoms :          2       8

 Numer              -0.2963          0.3065          0.4650
 Numer              -0.0393          0.1705          0.3005
 Numer              -0.0507          0.1466          0.2678

 3x3 Hessian Block for Atoms :          3       1

 Numer            -311.3966        337.7051        166.6365
 Numer             418.5810       -691.0198       -228.7200
 Numer             209.9311       -237.0307       -255.2049

 3x3 Hessian Block for Atoms :          3       2

 Numer              33.1581         31.6302        -26.5404
 Numer             -31.8152        -30.7149         26.2917
 Numer             -26.5399        -26.1541         23.0965

 3x3 Hessian Block for Atoms :          3       3

 Numer             264.1635       -358.7185       -181.6826
 Numer            -365.7021        703.3856        268.6053
 Numer            -181.1139        262.2568        237.7436

 3x3 Hessian Block for Atoms :          3       4

 Numer              14.5067        -10.6801         40.9450
 Numer             -21.6685         18.2097        -65.8722
 Numer              -2.5264          1.8279         -7.0324

 3x3 Hessian Block for Atoms :          3       5

 Numer               0.2527          0.5204         -1.2649
 Numer              -0.5899         -0.5296          0.4545
 Numer              -0.1702          0.5235         -1.2455

 3x3 Hessian Block for Atoms :          3       6

 Numer              -0.2962         -0.3068          0.4650
 Numer               0.0392          0.1706         -0.3004
 Numer              -0.0506         -0.1467          0.2678

 3x3 Hessian Block for Atoms :          3       7

 Numer              -0.0820         -0.4434          1.0827
 Numer               1.1387          0.9061         -0.8150
 Numer               0.1490         -1.1207          2.4398

 3x3 Hessian Block for Atoms :          3       8

 Numer               0.0797         -0.0160          0.2553
 Numer               0.0361         -0.0686          0.2233
 Numer               0.0915         -0.0075          0.1179

 3x3 Hessian Block for Atoms :          4       1

 Numer            -108.4367          0.0442       -156.3854
 Numer               0.0686       -160.3333          0.2192
 Numer            -250.4247          0.2285      -1007.1967

 3x3 Hessian Block for Atoms :          4       2

 Numer              14.4580         21.7011         -2.4942
 Numer              10.7159         18.1101         -1.8154
 Numer              41.0924         66.0875         -6.9881

 3x3 Hessian Block for Atoms :          4       3

 Numer              14.4603        -21.6991         -2.5062
 Numer             -10.7388         18.1442          1.8290
 Numer              41.0913        -66.0721         -7.0235

 3x3 Hessian Block for Atoms :          4       4

 Numer              79.5317         -0.0464        162.0999
 Numer              -0.0458        122.7805         -0.2334
 Numer             169.2146         -0.2441       1021.4068

 3x3 Hessian Block for Atoms :          4       5

 Numer               1.5119         -0.0005          0.0659
 Numer              -0.0003         -1.6158         -0.0004
 Numer               0.9982         -0.0004         -0.1823

 3x3 Hessian Block for Atoms :          4       6

 Numer              -0.4633         -0.3920         -0.0360
 Numer               0.2393          0.1380         -0.0073
 Numer              -0.1283         -0.2345          0.0234

 3x3 Hessian Block for Atoms :          4       7

 Numer              -0.7006          0.0002         -0.1609
 Numer               0.0003          2.7283          0.0007
 Numer              -1.7912          0.0009         -0.0140

 3x3 Hessian Block for Atoms :          4       8

 Numer              -0.4631          0.3922         -0.0358
 Numer              -0.2393          0.1382          0.0073
 Numer              -0.1282          0.2346          0.0235

 3x3 Hessian Block for Atoms :          5       1

 Numer             -10.4631          0.0003          0.6487
 Numer               0.0000          4.2484          0.0001
 Numer               4.5110         -0.0010          5.2268

 3x3 Hessian Block for Atoms :          5       2

 Numer               0.2544          0.5980         -0.1692
 Numer              -0.5187         -0.5363         -0.5222
 Numer              -1.2632         -0.4580         -1.2418

 3x3 Hessian Block for Atoms :          5       3

 Numer               0.2540         -0.5984         -0.1697
 Numer               0.5191         -0.5377          0.5226
 Numer              -1.2626          0.4594         -1.2412

 3x3 Hessian Block for Atoms :          5       4

 Numer               1.5123          0.0000          0.9949
 Numer              -0.0005         -1.6363         -0.0004
 Numer               0.0649         -0.0004         -0.1825

 3x3 Hessian Block for Atoms :          5       5

 Numer            1482.4030         -0.0005        184.0908
 Numer              -0.0003       1541.0709         -0.0055
 Numer             192.8574         -0.0056        756.6643

 3x3 Hessian Block for Atoms :          5       6

 Numer            -236.3627       -205.4987       -159.6677
 Numer            -231.1019       -692.2967       -356.5606
 Numer            -206.0706       -424.5642       -327.7567

 3x3 Hessian Block for Atoms :          5       7

 Numer           -1001.4402          0.0017        133.3978
 Numer               0.0020       -158.6684          0.0001
 Numer             217.5864         -0.0001       -104.4023

 3x3 Hessian Block for Atoms :          5       8

 Numer            -236.3619        205.4975       -159.6696
 Numer             231.1002       -692.2932        356.5660
 Numer            -206.0726        424.5699       -327.7642

 3x3 Hessian Block for Atoms :          6       1

 Numer               1.0139         -0.1012          0.0941
 Numer               1.1124         -0.2174          0.5018
 Numer              -1.3079          0.9711         -0.6136

 3x3 Hessian Block for Atoms :          6       2

 Numer               0.0928         -0.0419          0.0918
 Numer               0.0055         -0.0638          0.0069
 Numer               0.2486         -0.2197          0.1173

 3x3 Hessian Block for Atoms :          6       3

 Numer              -0.3104          0.0453         -0.0512
 Numer              -0.3180          0.1753         -0.1471
 Numer               0.4732         -0.3035          0.2674

 3x3 Hessian Block for Atoms :          6       4

 Numer              -0.4639          0.2393         -0.1276
 Numer              -0.4214          0.1511         -0.2357
 Numer              -0.0359         -0.0074          0.0234

 3x3 Hessian Block for Atoms :          6       5

 Numer            -236.2660       -224.8774       -205.0603
 Numer            -212.1421       -692.0697       -431.7379
 Numer            -160.5088       -349.4280       -327.3980

 3x3 Hessian Block for Atoms :          6       6

 Numer             221.9019        247.8963        177.2628
 Numer             254.1015        705.7466        378.3117
 Numer             178.0201        371.3037        278.7203

 3x3 Hessian Block for Atoms :          6       7

 Numer              -6.3536          1.4774          1.9941
 Numer             -67.0852         17.0193         20.4724
 Numer             -42.8648         10.5766         13.8796

 3x3 Hessian Block for Atoms :          6       8

 Numer              20.4770        -24.4593         26.0452
 Numer              24.6188        -30.4241         32.8320
 Numer              26.0653        -32.6199         35.4184

 3x3 Hessian Block for Atoms :          7       1

 Numer             -12.4402         -0.0004         -0.5646
 Numer               0.0003         -6.2880         -0.0002
 Numer              -3.5337          0.0017         -8.2381

 3x3 Hessian Block for Atoms :          7       2

 Numer              -0.0851         -1.1379          0.1468
 Numer               0.4407          0.9053          1.1229
 Numer               1.0820          0.8107          2.4434

 3x3 Hessian Block for Atoms :          7       3

 Numer              -0.0849          1.1387          0.1476
 Numer              -0.4411          0.9078         -1.1236
 Numer               1.0816         -0.8132          2.4422

 3x3 Hessian Block for Atoms :          7       4

 Numer              -0.7001         -0.0002         -1.7947
 Numer               0.0002          2.7257          0.0009
 Numer              -0.1598          0.0008         -0.0130

 3x3 Hessian Block for Atoms :          7       5

 Numer           -1001.4308          0.0021        223.9586
 Numer               0.0016       -158.4685         -0.0001
 Numer             126.8588          0.0001       -104.4460

 3x3 Hessian Block for Atoms :          7       6

 Numer              -6.3475        -67.2068        -43.0129
 Numer               1.4775         16.9135         10.6359
 Numer               1.9783         20.5146         13.8256

 3x3 Hessian Block for Atoms :          7       7

 Numer            1027.4354         -0.0019       -135.8226
 Numer              -0.0018        126.4348         -0.0000
 Numer            -129.7990         -0.0000         80.0608

 3x3 Hessian Block for Atoms :          7       8

 Numer              -6.3473         67.2065        -43.0135
 Numer              -1.4775         16.9131        -10.6358
 Numer               1.9782        -20.5146         13.8259

 3x3 Hessian Block for Atoms :          8       1

 Numer               1.0137          0.1012          0.0940
 Numer              -1.1124         -0.2174         -0.5018
 Numer              -1.3073         -0.9710         -0.6133

 3x3 Hessian Block for Atoms :          8       2

 Numer              -0.3104         -0.0454         -0.0513
 Numer               0.3174          0.1751          0.1468
 Numer               0.4730          0.3035          0.2673

 3x3 Hessian Block for Atoms :          8       3

 Numer               0.0931          0.0421          0.0919
 Numer              -0.0052         -0.0638         -0.0067
 Numer               0.2480          0.2194          0.1171

 3x3 Hessian Block for Atoms :          8       4

 Numer              -0.4640         -0.2393         -0.1276
 Numer               0.4217          0.1513          0.2358
 Numer              -0.0356          0.0075          0.0235

 3x3 Hessian Block for Atoms :          8       5

 Numer            -236.2651        224.8759       -205.0622
 Numer             212.1409       -692.0663        431.7435
 Numer            -160.5108        349.4335       -327.4055

 3x3 Hessian Block for Atoms :          8       6

 Numer              20.4770         24.4594         26.0449
 Numer             -24.6187        -30.4241        -32.8315
 Numer              26.0656         32.6205         35.4184

 3x3 Hessian Block for Atoms :          8       7

 Numer              -6.3534         -1.4773          1.9941
 Numer              67.0848         17.0188        -20.4724
 Numer             -42.8654        -10.5765         13.8798

 3x3 Hessian Block for Atoms :          8       8

 Numer             221.9009       -247.8949        177.2650
 Numer            -254.1001        705.7436       -378.3178
 Numer             178.0224       -371.3098        278.7275