%chk=000102581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102581

0 1
 S   -2.580400       1.469800     -0.2288000    
 O    2.690400      -2.388000       1.449100    
 O   -1.780300      -2.208200      -3.258900    
 N   0.3896000      -1.236000      0.2321000    
 C  -0.3319000     -0.1226000     -0.3805000    
 C  -0.6970000     -0.6211000      -1.821700    
 C   0.7705000     -0.9136000       1.614300    
 C    1.584000      -1.578500     -0.5525000    
 C   0.6032000       1.113100     -0.3738000    
 C   -1.652300      0.2102000      0.3723000    
 C    1.532700      -2.084600       2.228300    
 C    2.326000      -2.734400      0.1124000    
 C   -1.567100      -1.881100      -1.889900    
 C   0.5201000       1.972000      0.6862000    
 C    1.458400       1.273700      -1.427800    
 C   -2.113400     -0.4152000       1.453300    
 C   -3.348100      0.1734000       1.852000    
 C    1.361900       3.084200      0.6926000    
 C    2.300300       2.385900      -1.421300    
 C   -3.718600       1.209800       1.023700    
 C    2.252000       3.291100     -0.3611000    
 H   -1.240700      0.1739000      -2.354100    
 H   0.1501000     -0.7768000      -2.494500    
 H    1.505900     -0.1004000       1.633400    
 H   7.4999998E-03 -0.6314000       2.332200    
 H    1.374100      -1.934400      -1.562300    
 H    2.324800     -0.7775000     -0.5923000    
 H    1.875700      -1.822300       3.234600    
 H   0.9013000      -2.977100       2.316000    
 H    1.721800      -3.649900      0.1237000    
 H    3.248200      -2.954800     -0.4356000    
 H   -1.096700      -2.742800      -1.408000    
 H   -2.547800      -1.720900      -1.434200    
 H  -0.1280000       1.839600       1.544600    
 H    1.539500      0.6131000      -2.279500    
 H   -1.744900      -1.310200       1.932700    
 H   -3.948300     -0.1635000       2.687300    
 H    1.330400       3.785100       1.521700    
 H    2.993300       2.548400      -2.241800    
 H   -4.606700       1.822300       1.090100    
 H    2.908700       4.156100     -0.3553000    
 H  -0.9145000      -2.417000      -3.649300    


%chk=000102581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102581

0 1
S -2.557274 1.657132 0.090203
O 2.587691 -2.731088 1.648226
O -1.902903 -2.165474 -3.224886
N 0.524070 -1.150555 0.316806
C -0.245695 -0.041185 -0.386603
C -0.681284 -0.521725 -1.815963
C 1.008644 -0.817739 1.689565
C 1.651859 -1.751434 -0.447265
C 0.618410 1.253798 -0.474064
C -1.542137 0.182101 0.400816
C 1.484838 -2.098964 2.390647
C 2.145905 -3.018396 0.277314
C -1.534257 -1.805064 -1.843263
C 0.675063 2.151067 0.627526
C 1.458424 1.525608 -1.586502
C -2.215117 -0.692065 1.241700
C -3.511016 -0.225672 1.674298
C 1.523654 3.277829 0.614947
C 2.310210 2.652916 -1.604072
C -3.854398 1.007444 1.147706
C 2.347857 3.537147 -0.503549
H -1.262019 0.293968 -2.283250
H 0.205888 -0.679061 -2.458625
H 1.851488 -0.089965 1.661752
H 0.187971 -0.365983 2.271560
H 1.318563 -2.052025 -1.455189
H 2.500390 -1.036337 -0.562330
H 1.894119 -1.873571 3.389488
H 0.639137 -2.815081 2.485481
H 1.326988 -3.771090 0.297347
H 3.026492 -3.442722 -0.233722
H -1.010339 -2.641645 -1.338012
H -2.498322 -1.647459 -1.338321
H 0.033790 1.978085 1.498129
H 1.448866 0.872328 -2.464533
H -1.788792 -1.658052 1.521128
H -4.161885 -0.790112 2.346551
H 1.537963 3.954607 1.476706
H 2.939810 2.841260 -2.481133
H -4.755103 1.599275 1.301760
H 3.004680 4.413871 -0.518461
H -1.078528 -2.356574 -3.740509


