%chk=000099974.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099974

0 1
 S    1.032500      -2.158100      3.0800000E-02
 S   -2.492500       1.566700     -0.4412000    
 O    4.430100     -0.4623000     -0.6497000    
 O   -5.885600     -0.1134000      0.2451000    
 N    2.157300      7.5800002E-02 -0.5832000    
 N   -3.615300     -0.6685000      0.1676000    
 N  -0.2130000      0.1446000     -0.3583000    
 N   -1.244300     -0.7377000     -5.7300001E-02
 C    2.833700      -2.198000     -0.1811000    
 C    3.252500     -0.7757000     -0.4950000    
 C    2.335800       1.485800     -0.9027000    
 C   0.9214000     -0.4654000     -0.3374000    
 C    3.513900      -2.710100       1.076700    
 C    2.574600       2.266700      0.3581000    
 C   -2.379100     -0.1276000     -7.8100003E-02
 C   -4.288600       1.591000     -0.2717000    
 C    3.805400       1.927300       1.150100    
 C   -4.706900      0.1852000      7.4800000E-02
 C   -3.775900      -2.074900      0.5104000    
 C    1.744100       3.248600      0.7420000    
 H    3.075800      -2.828900      -1.042100    
 H    1.450200       1.846400      -1.438300    
 H    3.196300       1.600200      -1.572100    
 H    4.600300      -2.743500      0.9369000    
 H    3.324000      -2.058000       1.937400    
 H    3.182800      -3.723600       1.327300    
 H   -4.753500       1.890600      -1.214200    
 H   -4.583800       2.270200      0.5319000    
 H    3.713800      0.9454000       1.622900    
 H    4.692700       1.941600      0.5095000    
 H    3.980100       2.653200       1.952400    
 H   -3.175700      -2.291000       1.399500    
 H   -3.394800      -2.681400     -0.3168000    
 H   -4.822600      -2.324100      0.7001000    
 H   0.8624000       3.501500      0.1625000    
 H    1.924600       3.820300       1.646200    


%chk=000099974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099974

0 1
S 1.109462 -2.427673 0.074532
S -2.491306 1.853963 -0.427554
O 4.534778 -0.542125 -0.814375
O -5.921534 -0.072293 0.363126
N 2.245758 -0.063942 -0.574298
N -3.618282 -0.526086 0.187459
N -0.106234 0.084519 -0.350102
N -1.271738 -0.669012 -0.056002
C 2.998236 -2.366037 -0.203608
C 3.359062 -0.918250 -0.561927
C 2.391894 1.387017 -0.888318
C 0.990481 -0.628618 -0.305930
C 3.785101 -2.862818 1.022777
C 2.428569 2.272779 0.354373
C -2.366523 0.047061 -0.075043
C -4.367882 1.756613 -0.191320
C 3.573040 2.034220 1.320843
C -4.744262 0.314256 0.146964
C -3.741911 -1.962633 0.495031
C 1.487604 3.234153 0.537516
H 3.212073 -2.999449 -1.081520
H 1.553284 1.669919 -1.544294
H 3.346700 1.466486 -1.441662
H 4.866965 -2.764067 0.823030
H 3.534832 -2.272123 1.920352
H 3.559340 -3.922663 1.229223
H -4.874826 2.064806 -1.118516
H -4.671580 2.421869 0.631423
H 3.499696 1.030340 1.783459
H 4.549682 2.067728 0.802290
H 3.575199 2.780410 2.132809
H -3.145239 -2.208869 1.388408
H -3.370034 -2.563143 -0.351254
H -4.808948 -2.167399 0.673848
H 0.650995 3.360032 -0.158760
H 1.520252 3.909926 1.400020


