%chk=000103046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103046

0 1
 S  -0.2062000      -1.016000      0.5730000    
 O    1.670000       1.600500     -0.2282000    
 O    4.083300      -1.810900      -1.049200    
 O    1.176300       3.033100       1.510900    
 N    2.348000     -0.6355000      7.4900001E-02
 N    4.459400      0.2165000      9.8999999E-02
 N    1.315500      -2.714000     -0.5967000    
 N   6.6799998E-02  -3.308000     -0.5396000    
 C    2.261600      0.6809000      0.6956000    
 C    3.701700       1.078200      0.9752000    
 C   -2.237900      -2.868300      0.2661000    
 C    3.685300     -0.8639000     -0.3816000    
 C    1.311100      -1.516200     -5.1600002E-02
 C   -1.745300       2.527400     -0.4728000    
 C  -0.9474000       3.830900     -0.5770000    
 C   -3.240600       2.804700     -0.3051000    
 C  -0.8179000      -2.529400      4.6000000E-02
 C   0.5487000       3.585500     -0.7737000    
 C   -4.043000       1.504400     -0.2343000    
 C    5.847300      0.4334000     -0.2464000    
 C    1.163500       2.743400      0.3224000    
 C   -2.904000      -2.223800       1.538500    
 C   -3.150700      -2.413900     -0.9275000    
 C   -2.461000      -4.411900      0.4453000    
 C   -5.540000       1.781400     -0.1002000    
 C   -6.344200      0.4917000     -6.3400000E-02
 H    1.701000      0.6363000       1.637400    
 H    3.998400      0.8354000       2.000700    
 H    3.924600       2.125900      0.7549000    
 H   -1.578200       1.921400      -1.371300    
 H   -1.398800       1.943300      0.3864000    
 H   -1.322000       4.431900      -1.413900    
 H   -1.100100       4.419500      0.3361000    
 H   -3.407000       3.390700      0.6070000    
 H   -3.597200       3.409500      -1.147800    
 H    1.091000       4.537100     -0.8036000    
 H   0.7131000       3.103500      -1.745100    
 H   -3.861700      0.9160000      -1.141100    
 H   -3.701200      0.9087000      0.6188000    
 H    5.938200       1.406100     -0.7369000    
 H    6.204600     -0.3495000     -0.9198000    
 H    6.441100      0.4267000      0.6714000    
 H   -3.934200      -2.575000       1.671400    
 H   -2.343000      -2.486200       2.443200    
 H   -2.943000      -1.132300       1.471100    
 H   -4.201600      -2.671600     -0.7553000    
 H   -3.083100      -1.332200      -1.080200    
 H   -2.831700      -2.896300      -1.858700    
 H   -3.518200      -4.652600      0.6030000    
 H   -2.123700      -4.960200     -0.4420000    
 H   -1.892600      -4.787800       1.304000    
 H   -5.732100       2.352700      0.8154000    
 H   -5.883100       2.393400     -0.9426000    
 H   -6.045300     -0.1324000      0.7851000    
 H   -6.200200     -8.6700000E-02 -0.9817000    
 H   -7.411500      0.7125000      3.5700001E-02


%chk=000103046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103046

0 1
S 0.005974 -1.039476 -0.479073
O 1.904113 1.614889 -0.207479
O 4.202796 -2.023132 -0.687661
O 0.723824 2.772976 1.448448
N 2.649670 -0.573995 0.454293
N 4.763474 0.142406 0.112041
N 1.500159 -2.570909 1.143760
N 0.291124 -3.264356 0.970225
C 2.621374 0.815504 0.856925
C 4.118024 1.213357 0.880670
C -2.007188 -3.138596 -0.082246
C 3.930337 -0.946643 -0.114789
C 1.541139 -1.415680 0.482882
C -2.154087 2.538950 -0.460213
C -1.155747 3.705233 -0.636847
C -3.594228 3.019167 -0.175389
C -0.600607 -2.639369 0.202889
C 0.283871 3.235896 -0.946473
C -4.598161 1.857962 0.003945
C 6.168100 0.158669 -0.277924
C 0.945649 2.552577 0.237204
C -3.032329 -2.157088 0.563517
C -2.238689 -3.197655 -1.620621
C -2.185531 -4.554506 0.527045
C -6.039964 2.333567 0.293832
C -7.035222 1.166750 0.472132
H 2.087616 0.989798 1.804378
H 4.498073 1.255278 1.921042
H 4.258691 2.201596 0.409018
H -2.150730 1.909008 -1.374713
H -1.816670 1.889278 0.372430
H -1.495269 4.359867 -1.463610
H -1.143760 4.322146 0.282121
H -3.594937 3.648159 0.739052
H -3.935882 3.673900 -1.004774
H 0.917363 4.107128 -1.211780
H 0.313232 2.550722 -1.811937
H -4.599614 1.227180 -0.910423
H -4.257348 1.202925 0.833717
H 6.386316 1.008030 -0.952524
H 6.382422 -0.783068 -0.809219
H 6.831631 0.225970 0.606240
H -4.058476 -2.523856 0.378053
H -2.879026 -2.089754 1.655298
H -2.947563 -1.140789 0.136978
H -3.255467 -3.579718 -1.825253
H -2.147544 -2.198146 -2.084599
H -1.510150 -3.871323 -2.105467
H -3.210901 -4.911522 0.319324
H -1.464777 -5.267515 0.092201
H -2.023565 -4.542410 1.617640
H -6.038210 2.962669 1.207238
H -6.380471 2.988887 -0.533913
H -6.732458 0.513060 1.312164
H -7.080377 0.541035 -0.439544
H -8.057222 1.532963 0.680970


