%chk=000080332.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080332

0 1
 S  -0.5027000     -9.5799997E-02  -1.878500    
 S    4.621200       1.910500       1.161900    
 O  -0.6799000      -1.524100      -1.662600    
 O  -0.3767000      0.4251000      -3.231000    
 O    2.476600      -2.753300      -1.845700    
 O    4.082400       2.453000       2.607000    
 O    5.473400      0.7614000       1.430900    
 O    5.127000       3.049700      0.4120000    
 O   -5.212700       2.453700      0.5933000    
 O   -3.507600     -0.8415000       2.318600    
 O   -5.556800      2.1299999E-02   1.846600    
 N    1.268300      -1.772700     -5.6499999E-02
 N   0.4079000      -2.201900      0.9299000    
 C   0.9264000      0.4353000      -1.016800    
 C    1.651900     -0.4500000     -0.2087000    
 C    2.790900      1.4800000E-02  0.4611000    
 C   -1.917600      0.6642000      -1.132200    
 C    1.333200       1.762800      -1.152000    
 C    3.197600       1.342200      0.3257000    
 C    1.052200      -4.041900     -0.3585000    
 C    1.718100      -2.806600     -0.8925000    
 C   0.2698000      -3.480600      0.7814000    
 C    2.468800       2.216100     -0.4809000    
 C   -2.561400      1.5300000E-02 -9.4800003E-02
 C   -2.348500       1.890700      -1.603100    
 C   -3.675700      0.6145000      0.4926000    
 C  -0.5833000      -4.336200       1.650000    
 C   -3.462600       2.489900      -1.015500    
 C   -4.126200       1.851700      3.2299999E-02
 C   -4.353800     -6.7900002E-02   1.586000    
 H    3.350000     -0.6710000       1.093800    
 H   0.7796000       2.460400      -1.774200    
 H    1.793100      -4.759400     -1.6000000E-03
 H   0.3870000      -4.479000      -1.105200    
 H    2.761800       3.255800     -0.5959000    
 H   -2.207700     -0.9502000      0.2533000    
 H   -1.842600       2.404900      -2.414200    
 H   -1.344800      -4.827000       1.038500    
 H   -1.072800      -3.731700       2.418000    
 H   3.6800001E-02  -5.097200       2.130400    
 H   -3.801800       3.454600      -1.383400    
 H    3.654400       1.774400       3.180400    
 H   -5.373600       3.301300      0.1443000    
 H   -3.972600      -1.298400       3.051600    


%chk=000080332-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080332

0 1
S -0.513300 0.114534 -2.034839
S 5.043712 1.820743 0.960543
O -0.554641 -1.474615 -2.377200
O -0.424572 1.199776 -3.262869
O 3.354547 -2.952701 -0.243279
O 4.255936 2.502351 2.499479
O 5.928695 0.527927 1.352754
O 5.682855 3.048487 0.125217
O -5.540537 1.995769 0.821687
O -3.421945 -1.429433 2.194485
O -4.954331 0.191293 2.826621
N 1.315824 -1.749227 0.067478
N -0.056349 -2.036828 0.373112
C 1.040676 0.523707 -0.953960
C 1.743521 -0.421733 -0.162445
C 2.980962 -0.011144 0.408189
C -2.045473 0.691422 -1.055300
C 1.515283 1.828815 -1.172498
C 3.415568 1.296235 0.183217
C 1.131743 -4.070388 0.188754
C 2.122187 -2.921146 -0.024781
C -0.172989 -3.351367 0.454283
C 2.725632 2.247309 -0.582997
C -2.476866 0.027121 0.095531
C -2.732966 1.783455 -1.617236
C -3.655969 0.472100 0.751274
C -1.484520 -4.005839 0.757233
C -3.903887 2.222835 -0.979077
C -4.373843 1.580001 0.197831
C -4.105229 -0.202076 1.999227
H 3.576058 -0.711911 1.000468
H 0.959617 2.489881 -1.846137
H 1.451330 -4.725713 1.018126
H 1.086150 -4.696787 -0.721669
H 3.129209 3.251028 -0.741705
H -1.903065 -0.809991 0.502168
H -2.354134 2.254942 -2.529864
H -1.842306 -4.574520 -0.122547
H -2.245212 -3.254015 1.021755
H -1.384354 -4.726713 1.590220
H -4.464986 3.067962 -1.396666
H 4.984780 2.879929 3.073370
H -5.953263 2.756836 0.338515
H -3.732548 -1.811110 3.059332


