%chk=000007181.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007181

0 1
 S    1.274300      -2.152400     -5.3399999E-02
 S   -2.367900     -0.5277000       1.416800    
 O    2.268300      -2.841800      0.7609000    
 O    1.074700      -2.582700      -1.431800    
 N  -0.2289000      -2.195600      0.7875000    
 N   -1.504600      -1.052300     -0.9381000    
 N   -2.570000     -0.1868000      -1.114600    
 N    2.622200       3.638900     -4.3299999E-02
 C    1.670700     -0.4521000     -5.0500002E-02
 C    2.418000      8.8000000E-02  0.9962000    
 C    1.239000      0.3666000      -1.094100    
 C   -1.280200      -1.322300      0.3398000    
 C    2.302100       2.265400     -4.4700000E-02
 C    2.733500       1.446800      0.9992000    
 C    1.554700       1.725200      -1.091300    
 C   -4.259300       1.076100      0.1924000    
 C   -3.109600      0.1637000      3.3300001E-02
 C   -3.836900       2.543100      0.3358000    
 H  -0.2021000      -2.363700       1.800600    
 H    2.758200     -0.5285000       1.823300    
 H   0.6739000     -3.0800000E-02  -1.931700    
 H   -4.909800      0.9855000     -0.6861000    
 H   -4.872000      0.7920000       1.056400    
 H    3.314900       1.856300       1.821200    
 H    1.216300       2.351800      -1.912500    
 H   -3.219300       2.691000       1.228000    
 H   -4.720300       3.183500      0.4211000    
 H   -3.257600       2.871000     -0.5340000    
 H    3.162200       4.031900      0.7161000    
 H    2.307600       4.232800     -0.7989000    


%chk=000007181-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007181

0 1
S 0.996870 -1.510838 0.321368
S -3.303689 -0.798138 1.309218
O 1.720554 -2.529935 1.364366
O 0.331867 -2.032824 -1.061699
N -0.451495 -0.760465 1.463784
N -1.540895 0.565804 -0.199918
N -2.802786 0.902883 -0.691829
N 4.693121 3.142561 -0.723401
C 2.105013 -0.059223 0.014383
C 3.325327 -0.011194 0.714507
C 1.701090 0.927401 -0.906385
C -1.579260 -0.295888 0.831340
C 3.833762 2.082170 -0.473786
C 4.193942 1.062456 0.461433
C 2.575126 1.997987 -1.148522
C -5.270142 0.617051 -0.336902
C -3.822464 0.342540 -0.046234
C -6.003471 1.337845 0.824597
H -0.565736 -1.435740 2.234526
H 3.587157 -0.802443 1.424021
H 0.720662 0.871570 -1.389535
H -5.295628 1.242725 -1.246764
H -5.791902 -0.329850 -0.573533
H 5.154873 1.117382 0.985349
H 2.282855 2.781681 -1.856346
H -6.004514 0.723780 1.742874
H -7.052859 1.536659 0.543692
H -5.516914 2.300977 1.056383
H 5.587572 3.214997 -0.246538
H 4.444065 3.870969 -1.386848


