%chk=000001272.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001272

0 1
 S   0.9213000      -1.778100      0.1012000    
 O   -3.261000       2.903200      0.8373000    
 O   -2.001400       2.556600      -1.014100    
 O   0.4609000      -1.993500      -1.257300    
 O    1.263900      -2.908200      0.9433000    
 O   -2.702700      -1.585300      -1.724000    
 N  -0.1937000     -0.7960000      0.9259000    
 C   -2.052800      0.8302000      0.7058000    
 C   -3.029600     -0.3006000      0.3006000    
 C  -0.5882000      0.5119000      0.3562000    
 C   -4.485100     -7.8800000E-02  0.7490000    
 C   -2.417500       2.167000      7.0100002E-02
 C   -3.033700     -0.5254000      -1.200800    
 C   -5.397900      -1.255900      0.4380000    
 C    2.346300     -0.7341000      3.4699999E-02
 C    3.271700     -0.7874000       1.062600    
 C    2.510200      0.1171000      -1.044200    
 C    4.577700      0.9003000     -6.9899999E-02
 C    4.396300      3.6300000E-02   1.009900    
 C    3.634700      0.9407000      -1.097100    
 C    5.780500       1.780100     -0.1272000    
 H   -2.105300      0.9573000       1.796000    
 H   -2.692600      -1.237600      0.7625000    
 H   6.9499999E-02   1.287100      0.7659000    
 H  -0.4553000      0.5031000     -0.7308000    
 H   -4.903800      0.8122000      0.2665000    
 H   -4.502600      0.1032000       1.830300    
 H  -0.2605000     -0.8765000       1.948100    
 H   -3.374400      0.3212000      -1.820800    
 H   -5.012000      -2.179700      0.8806000    
 H   -5.511000      -1.408900     -0.6395000    
 H   -6.395400      -1.075200      0.8518000    
 H    3.144500      -1.446800       1.915600    
 H    1.787300      0.1652000      -1.852600    
 H   -3.485500       3.759900      0.4154000    
 H    5.122200     -1.8000000E-03   1.817800    
 H    3.764000       1.611200      -1.942600    
 H    5.568900       2.737600      0.3589000    
 H    6.635700       1.313600      0.3737000    
 H    6.081500       1.971100      -1.162800    


%chk=000001272-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001272

0 1
S 0.954393 -1.609916 0.118925
O -3.547453 2.890477 0.963246
O -2.422457 2.664905 -1.052370
O 0.415339 -1.739886 -1.407593
O 1.196422 -2.862414 1.121533
O -3.699539 -1.512983 -1.940989
N -0.334545 -0.599445 0.965498
C -2.300491 0.843164 0.626857
C -3.229118 -0.326194 0.155606
C -0.809947 0.596769 0.249203
C -4.692550 -0.168658 0.692633
C -2.734200 2.189130 0.064124
C -3.246207 -0.493847 -1.366922
C -5.497704 -1.483513 0.665225
C 2.561320 -0.605326 0.059734
C 3.473395 -0.747234 1.118266
C 2.790080 0.217007 -1.055489
C 4.944827 0.862755 -0.038552
C 4.671129 -0.001454 1.055802
C 3.995049 0.952814 -1.091350
C 6.223817 1.677990 -0.080498
H -2.394271 0.906224 1.726319
H -2.801560 -1.251979 0.588905
H -0.206723 1.502851 0.467145
H -0.735111 0.397758 -0.835633
H -5.224655 0.611504 0.112184
H -4.631825 0.213331 1.730905
H -0.059032 -0.476535 1.952188
H -2.872451 0.371232 -1.969878
H -5.022933 -2.250280 1.305249
H -5.556681 -1.895002 -0.356409
H -6.525251 -1.315532 1.036666
H 3.269051 -1.443308 1.938572
H 2.069705 0.251279 -1.879346
H -3.829074 3.752776 0.549899
H 5.406594 -0.100631 1.862363
H 4.203246 1.596457 -1.953613
H 6.070886 2.673060 0.380470
H 7.040286 1.182276 0.472095
H 6.563340 1.846680 -1.116970


