%chk=000080890.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080890

0 1
 S    6.252600      -1.644900     -3.7900001E-02
 O    6.087400      -2.521900       1.332100    
 O    6.074500      -2.562900      -1.153500    
 O    7.463200     -0.8471000      8.0100000E-02
 O   -7.063800      -3.180100      2.5800001E-02
 N    1.670800       2.144800     -2.9800000E-02
 N   -3.887800       1.384700     -1.3000000E-03
 C   0.2734000       1.954100     -2.2000000E-02
 C    2.756100       1.247100     -3.1199999E-02
 C   -2.490600       1.576300     -7.7999998E-03
 C    4.907200     -0.5320000     -3.5100002E-02
 C  -0.5621000       2.894200     -0.6251000    
 C  -0.2730000      0.8251000      0.5882000    
 C   -1.944200       2.705300     -0.6179000    
 C   -1.655000      0.6361000      0.5953000    
 C    3.964300       1.609700      0.5660000    
 C    2.625500     -6.8000001E-03 -0.6305000    
 C    5.039200      0.7207000      0.5641000    
 C    3.700300     -0.8958000     -0.6323000    
 C   -4.692100      0.2284000      5.1000002E-03
 C   -5.948000      0.2543000      0.6136000    
 C   -4.235000     -0.9452000     -0.5963000    
 C   -6.744600     -0.8908000      0.6206000    
 C   -5.031700      -2.090200     -0.5893000    
 C   -6.286500      -2.063000      1.9200001E-02
 H    1.948700       3.122200     -3.4000002E-02
 H  -0.1481000       3.777200      -1.105000    
 H   0.3517000      9.0300001E-02   1.088600    
 H   -2.584900       3.444300      -1.092200    
 H   -2.054500     -0.2387000       1.100900    
 H    4.078700       2.582100       1.038500    
 H    1.704400     -0.3091000      -1.121300    
 H   -4.418200       2.251600     -1.8000000E-03
 H    5.966500       1.023100       1.042400    
 H    3.574100      -1.866800      -1.102800    
 H   -6.315900       1.161300       1.086600    
 H   -3.271600     -0.9897000      -1.097000    
 H   -7.720200     -0.8566000       1.098200    
 H   -4.671500      -2.999100      -1.063700    
 H    5.261700      -3.057500       1.394100    
 H   -7.896300      -2.981900      0.4882000    


%chk=000080890-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080890

0 1
S 6.372006 -1.628086 -0.260466
O 6.234548 -2.406777 1.435799
O 6.075982 -2.780692 -1.360093
O 7.754605 -0.784857 -0.307645
O -7.274039 -3.177802 0.067999
N 1.673362 2.141846 0.239986
N -3.966390 1.422544 -0.169128
C 0.272029 1.899297 0.112945
C 2.727803 1.233698 0.125417
C -2.565067 1.536120 -0.081790
C 4.926542 -0.490807 -0.107768
C -0.550438 2.901717 -0.464699
C -0.347165 0.723695 0.612648
C -1.942013 2.726225 -0.557600
C -1.738259 0.539309 0.511819
C 4.034471 1.656933 0.528527
C 2.562516 -0.079945 -0.414989
C 5.137332 0.798374 0.418099
C 3.662383 -0.945535 -0.526675
C -4.769230 0.253691 -0.076169
C -6.097727 0.373061 0.411409
C -4.318584 -1.023373 -0.515267
C -6.956327 -0.745012 0.458184
C -5.165090 -2.144898 -0.449317
C -6.485800 -2.011218 0.037576
H 1.938785 3.109178 0.434460
H -0.093373 3.815811 -0.862359
H 0.253595 -0.034284 1.124862
H -2.554286 3.509350 -1.021568
H -2.188490 -0.358832 0.943078
H 4.173922 2.663838 0.939638
H 1.582826 -0.406547 -0.770991
H -4.473899 2.297884 -0.305292
H 6.139403 1.117923 0.719970
H 3.550272 -1.945981 -0.956419
H -6.460227 1.346098 0.764010
H -3.316157 -1.134727 -0.938209
H -7.980709 -0.627573 0.834656
H -4.823965 -3.127479 -0.788304
H 6.976705 -3.075223 1.511828
H -8.177157 -2.984144 0.421639


