%chk=000077999.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077999

0 1
 S    4.883300     -0.9367000     -0.8924000    
 O   -1.612700      -1.849400      0.7835000    
 O    5.590100       2.087500       1.398800    
 O    7.347100     -0.7528000      -1.790700    
 N   -4.245100      -1.233300     -0.1084000    
 N    6.650100      0.7615000     -0.1715000    
 N   -5.035000      0.4335000      -1.616300    
 C    4.388600      0.2426000      0.4012000    
 C    3.167600       1.036200     -2.8600000E-02
 C    1.890500      0.2657000      0.1881000    
 C    5.584100       1.143000      0.6166000    
 C   -3.972200      -1.703000       1.229900    
 C    1.222200      0.3800000       1.398300    
 C    1.403600     -0.5461000     -0.8258000    
 C   -2.580100      -1.271200       1.658600    
 C  -0.4603000      -1.152400      0.5871000    
 C   3.9999999E-02 -0.3329000       1.598800    
 C   0.2215000      -1.259100     -0.6252000    
 C    6.506700     -0.2970000      -1.030000    
 C   -4.808300      2.9300001E-02 -0.3385000    
 C   -3.907300      -2.101800      -1.236900    
 C   -5.111300      0.8166000      0.7695000    
 C   -5.670700       2.071800      0.5575000    
 C   -5.579800       1.659400      -1.783300    
 C   -5.912600       2.508700     -0.7403000    
 H    4.222200     -0.3090000       1.333400    
 H    3.239200       1.371200      -1.072800    
 H    3.100900       1.969300      0.5482000    
 H   -3.995700      -2.801500       1.225800    
 H   -4.736600      -1.432800       1.965100    
 H    1.608500       1.008500       2.195700    
 H    1.914000     -0.6281000      -1.780700    
 H   -2.387900      -1.630000       2.676300    
 H   -2.530600     -0.1753000       1.652400    
 H  -0.4424000     -0.2454000       2.567800    
 H  -0.1657000      -1.893300      -1.418000    
 H    7.528000       1.268600     -0.1244000    
 H   -3.167000      -1.618700      -1.883700    
 H   -4.802000      -2.326200      -1.827600    
 H   -3.484300      -3.057100     -0.9083000    
 H   -4.928900      0.5400000       1.799700    
 H   -5.914000       2.711200       1.400900    
 H   -5.748000       1.953200      -2.814100    
 H   -6.346800       3.483800     -0.9294000    


%chk=000077999-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077999

0 1
S 5.134476 -1.518957 0.144079
O -1.491127 -1.210226 0.055888
O 6.333505 2.169718 1.136876
O 7.812147 -2.031291 -0.353896
N -4.520365 -1.143059 -0.296043
N 7.225935 0.126958 0.399771
N -6.108906 0.279778 -1.309705
C 4.816038 0.268698 0.726736
C 3.817085 1.033312 -0.185551
C 2.405506 0.473152 -0.115075
C 6.179033 0.973421 0.791090
C -3.738532 -1.612720 0.851765
C 1.517977 0.876916 0.911168
C 1.947450 -0.486593 -1.057332
C -2.442383 -0.826093 1.113485
C -0.221180 -0.612061 0.061940
C 0.212482 0.346162 1.011796
C 0.650998 -1.025862 -0.975179
C 6.959615 -1.204958 0.013959
C -5.400134 -0.066360 -0.181411
C -4.316465 -1.831683 -1.584683
C -5.574195 0.655383 1.049271
C -6.504805 1.708110 1.093645
C -6.995008 1.307766 -1.236319
C -7.243099 2.055511 -0.064840
H 4.407664 0.204374 1.750060
H 4.198371 1.015099 -1.222645
H 3.835460 2.086262 0.155915
H -3.463580 -2.667970 0.673372
H -4.356156 -1.593399 1.770574
H 1.842503 1.628419 1.642225
H 2.614717 -0.814783 -1.862725
H -2.023514 -1.096316 2.106118
H -2.627461 0.265727 1.078615
H -0.446730 0.688204 1.814745
H 0.293687 -1.762498 -1.701026
H 8.192469 0.466395 0.384945
H -4.928604 -1.322427 -2.342550
H -4.634940 -2.890825 -1.514935
H -3.250260 -1.797179 -1.871253
H -5.001129 0.407133 1.946399
H -6.648350 2.261197 2.028865
H -7.526522 1.534627 -2.168729
H -7.970775 2.871435 -0.063103


