%chk=000124886.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124886

0 1
 S   -1.750900      -1.508800      -2.117500    
 O    1.298300       2.030800     -0.8892000    
 O   -2.163700     -0.2769000       1.438900    
 O    4.418100      -2.094600      0.9251000    
 O    5.746900      -1.399900     -0.7759000    
 O   -4.983800      -1.160000     -0.5671000    
 O   -6.605700     -0.8539000      0.9897000    
 N  -1.4000000E-02  0.2979000     -7.0200004E-02
 N    6.096500       1.001800      0.5309000    
 N   -3.606100      0.9555000      0.1037000    
 C    3.684600      0.9528000      0.1116000    
 C    2.355600      0.2273000      0.3324000    
 C   -1.283400      0.7853000     -0.5578000    
 C    4.866300      0.2491000      0.7881000    
 C    1.180900      0.9707000     -0.2805000    
 C   -1.586700      0.3012000      -1.977900    
 C   -2.372200      0.4241000      0.4507000    
 C    5.080000      -1.141500      0.2183000    
 C   -4.798500      0.7329000      0.8876000    
 C   -5.562100     -0.4936000      0.4591000    
 H    3.602900       1.978600      0.4951000    
 H    3.864400       1.038100     -0.9689000    
 H    2.381500     -0.7699000     -0.1211000    
 H    2.165800      0.1108000       1.405900    
 H   -1.228600       1.881800     -0.5803000    
 H    4.717000      0.1804000       1.871400    
 H  -9.9999997E-05 -0.5881000      0.4275000    
 H   -2.510700      0.7446000      -2.361100    
 H  -0.7810000      0.6059000      -2.654900    
 H    6.868300      0.5812000       1.047600    
 H    5.998200       1.950000      0.8920000    
 H   -3.689100       1.540500     -0.7219000    
 H   -5.441000       1.607700      0.7547000    
 H   -4.524000      0.6226000       1.940800    
 H   -1.984000      -1.538300      -3.437800    
 H    4.549000      -2.989000      0.5440000    
 H   -5.498600      -1.953800     -0.8264000    


%chk=000124886-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124886

0 1
S -1.457088 -1.347182 -2.481266
O 1.154378 1.990424 -0.894938
O -2.085741 -0.917650 1.265853
O 4.316865 -1.627581 1.575509
O 6.475138 -1.532704 0.742839
O -6.056998 0.924811 -0.812637
O -7.250753 -0.465748 0.623773
N -0.016279 0.246718 0.085832
N 6.086658 0.921928 -0.379791
N -3.692422 0.253644 0.078694
C 3.638451 0.535841 -0.293106
C 2.384243 0.466788 0.605656
C -1.310095 0.688454 -0.437814
C 4.997930 0.435584 0.461763
C 1.142270 0.968323 -0.134803
C -1.429401 0.472032 -1.969511
C -2.392430 -0.064815 0.373064
C 5.363802 -0.982080 0.904476
C -4.796568 -0.445803 0.737746
C -6.159099 -0.030306 0.213886
H 3.628400 1.514186 -0.808412
H 3.605480 -0.234895 -1.084427
H 2.235003 -0.549849 1.005822
H 2.533520 1.135174 1.479696
H -1.411203 1.782170 -0.266782
H 4.877796 1.005669 1.422042
H -0.066900 -0.512923 0.777680
H -2.371952 0.888281 -2.364270
H -0.587247 0.980090 -2.462837
H 6.995651 0.476933 -0.244098
H 6.093598 1.920292 -0.580950
H -3.932990 0.922696 -0.655640
H -4.781170 -0.272839 1.831123
H -4.695930 -1.541496 0.611309
H -0.214297 -1.647633 -1.947870
H 4.631899 -2.525557 1.869720
H -6.962420 1.172322 -1.140735


