%chk=000075663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075663

0 1
 S   0.3837000      9.1499999E-02  -2.654700    
 S   -1.621000     -0.1838000      -2.285200    
 O   -3.964400      0.1211000      0.4848000    
 O    3.876200      0.2497000       1.485300    
 N    2.452000     -8.3899997E-02 -0.3576000    
 N   -1.911300      0.9081000       1.220800    
 C    1.765800       1.130500     -0.4625000    
 C   -2.119000      -1.301400      0.2221000    
 C   0.8041000       1.343100      -1.455300    
 C   -1.582700      -1.480800      -1.053100    
 C   -2.744100     -5.0400000E-02  0.6364000    
 C    2.062500       2.138500      0.4549000    
 C   -2.068000      -2.339500       1.152400    
 C   -2.384700       2.185500       1.703400    
 C    3.922400      -1.865100      0.3345000    
 C   0.1422000       2.572700      -1.521600    
 C  -0.9956000      -2.698300      -1.397800    
 C    3.433800     -0.4446000      0.5761000    
 C    1.399100       3.363500      0.3839000    
 C   -1.480900      -3.557000      0.8075000    
 C   0.4391000       3.580600     -0.6043000    
 C  -0.9449000      -3.736400     -0.4675000    
 C   -3.876800       2.339800       1.493200    
 C    5.012600      -2.283700       1.304600    
 H    2.195000     -0.7838000      -1.050500    
 H    2.787300       2.061400       1.251100    
 H   -2.482100      -2.213600       2.149700    
 H   -2.131200       2.250900       2.765900    
 H   -1.836600       2.968500       1.174000    
 H    3.067400      -2.544700      0.4266000    
 H    4.300200      -1.932500     -0.6921000    
 H  -0.6028000       2.776300      -2.287200    
 H  -0.5805000      -2.871600      -2.387600    
 H  -0.9211000      0.7035000       1.320100    
 H    1.628500       4.149400       1.097700    
 H   -1.441700      -4.365400       1.531600    
 H  -7.6099999E-02   4.535100     -0.6601000    
 H  -0.4900000      -4.685200     -0.7365000    
 H   -4.162400       2.356400      0.4363000    
 H   -4.469400       1.624200       2.072600    
 H   -4.168700       3.325100       1.879400    
 H    4.655600      -2.242600       2.338900    
 H    5.336400      -3.307800       1.095200    
 H    5.884400      -1.625800       1.223900    


%chk=000075663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075663

0 1
S 0.853216 0.384841 -3.293612
S -1.322654 -0.362783 -2.803745
O -3.213408 0.189973 -0.236383
O 1.527850 0.157893 1.876782
N 1.922446 0.207756 -0.431989
N -1.452461 0.618961 1.246387
C 1.466563 1.511827 -0.760048
C -1.366571 -1.385756 -0.151872
C 0.991826 1.757291 -2.087063
C -1.013232 -1.632106 -1.510263
C -2.087012 -0.118675 0.268556
C 1.524678 2.587666 0.164072
C -1.131724 -2.400261 0.810145
C -2.034547 1.858038 1.791556
C 2.718241 -1.737757 0.834008
C 0.610374 3.063029 -2.473881
C -0.447054 -2.875792 -1.884016
C 2.003630 -0.382840 0.826550
C 1.130637 3.881034 -0.235934
C -0.572278 -3.642271 0.434259
C 0.679877 4.130002 -1.554324
C -0.225959 -3.881011 -0.916136
C -2.397457 1.728116 3.285546
C 2.650892 -2.441100 2.199740
H 2.094965 -0.394640 -1.248571
H 1.872173 2.399277 1.181690
H -1.413558 -2.217609 1.852921
H -1.311381 2.683135 1.642156
H -2.932439 2.078778 1.189509
H 2.277191 -2.381144 0.045918
H 3.774617 -1.568130 0.541979
H 0.244352 3.223753 -3.492549
H -0.192541 -3.049585 -2.934430
H -0.496732 0.372956 1.543164
H 1.184617 4.702411 0.487232
H -0.418010 -4.421940 1.188348
H 0.378147 5.137270 -1.858263
H 0.195788 -4.845907 -1.217640
H -3.152360 0.936248 3.434544
H -1.508537 1.481044 3.894615
H -2.815589 2.680434 3.660896
H 1.606469 -2.663363 2.476105
H 3.215555 -3.389852 2.170901
H 3.073701 -1.801708 2.992440


