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*           Input file for aminobenzoic_acid                                                             *
*           The charges are at the MP2/6-31G(d,p) level for the point 620                                *
*           which corresponds to the HF/6-31G(d,p) minimum                                               *
**********************************************************************************************************

GENERAL
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1                                       !number of distinct molecular types

MOLECULAR_TYPES
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aminobenzoic_acid                                         !name of molecule
1                                                         !number of molecules of this type
17                                                        !number of distinct sites in molecule
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Site | Williams type |Tsym| At. weight |Point charge           |       x     |     y        |      z       |
-----|---------------|----|------------|-----------------------|-------------|--------------|--------------|
1            C3         1      12.001                0.11560.d0    0.6312649890  -0.0204232307   0.0007841129
2            C3         2      12.001               -0.24790.d0   -0.0639839589   1.1848529936   0.0029811766
3            C3         3      12.001               -0.28430.d0   -1.4418214634   1.2041272514   0.0022072195
4            C3         4      12.001                0.41770.d0   -2.1645192039   0.0089492058  -0.0008128924
5            C3         5      12.001               -0.24980.d0   -1.4674615168  -1.2026319539  -0.0004145975
6            C3         6      12.001               -0.27730.d0   -0.0913812597  -1.2103386912   0.0005704041
7            C3         7      12.001                0.61510.d0    2.1057531036  -0.0883170673  -0.0015620460
8            O2         8      15.9994              -0.70150.d0    2.6960261105   1.1062947409   0.0015651186
9            O1         9      15.9994              -0.51530.d0    2.7429474451  -1.0968750902  -0.0061684888
10           H3        10       1.00794              0.51910.d0    3.6326010761   0.9635426272   0.0005729368
11           H1        11       1.00794              0.19310.d0    0.4780849872   2.1116235821   0.0047868663
12           H1        12       1.00794              0.18560.d0   -1.9668398357   2.1433736010   0.0098151179
13           H1        13       1.00794              0.18750.d0   -2.0125973960  -2.1303503288   0.0045037276
14           H1        14       1.00794              0.18310.d0    0.4443908473  -2.1412424947  -0.0000771405
15           N4        15      14.00674             -0.95800.d0   -3.5433964386   0.0231214865   0.0394825707
16           H4        16       1.00794              0.41220.d0   -3.9862966771   0.8581395605  -0.2687752832
17           H4        17       1.00794              0.40510.d0   -4.0030035368  -0.8019960822  -0.2710427658
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1                                     !number of fragments
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No sites | fragment topology                               
---------|-------------------------------------------------------------------------------------------------
17      1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17…..

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0                                     !number of torsion groups
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No torsions | atom list         
------------|----------------------------------------------------------------------------------------------