%chk=000080864.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080864

0 1
 S   0.6523000      -2.702100     -0.2506000    
 S   -4.043000       1.478200     -0.2027000    
 O    1.088400      -2.882200       1.313400    
 O    1.052000      1.4900000E-02   2.714100    
 O   -4.611400       1.467000       1.330200    
 O   8.2900003E-02  -3.967800     -0.6842000    
 O    1.764900      -2.100900     -0.9664000    
 O   -3.482300       2.800900     -0.4379000    
 O   -5.080600      0.9471000      -1.072900    
 O    4.669800       2.428900     -9.6299998E-02
 O    4.199300       1.267600      -2.024400    
 N   0.9070000      0.2701000      0.3616000    
 N    1.712300      0.7063000     -0.6630000    
 C  -0.3843000     -0.1755000      6.7699999E-02
 C  -0.6351000      -1.515000     -0.2300000    
 C   -1.432100      0.7452000      7.5999998E-02
 C   -2.730800      0.3265000     -0.2137000    
 C    2.881300      0.8770000       1.363600    
 C    1.505300      0.3277000       1.626000    
 C   -1.933700      -1.933700     -0.5196000    
 C   -2.981500      -1.013000     -0.5116000    
 C    2.826300       1.050400     -0.1097000    
 C    3.973100       1.582500     -0.8695000    
 H   -1.227500       1.785700      0.3168000    
 H    3.646900      0.1516000       1.644100    
 H    3.009700       1.832700       1.875000    
 H   -2.164900      -2.969100     -0.7514000    
 H   -3.985700      -1.363900     -0.7320000    
 H   0.3804000      -3.213200       1.914700    
 H   -3.967000       1.747300       2.022000    
 H    5.443200       2.808900     -0.5651000    


%chk=000080864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080864

0 1
S 0.471747 -3.133082 -0.003531
S -3.918505 1.670967 -0.513081
O 0.550780 -3.600880 1.745269
O 1.695037 -1.219634 2.194007
O -4.337096 1.774110 1.290063
O -0.306456 -4.349198 -0.710544
O 1.907992 -2.614116 -0.544029
O -3.196979 3.041630 -0.970107
O -5.189717 1.079755 -1.316125
O 4.868424 2.459453 -0.023478
O 3.254261 3.291032 -1.499408
N 1.016309 0.118162 0.338154
N 1.521365 1.207608 -0.418034
C -0.327403 -0.294169 0.100510
C -0.741138 -1.646356 0.020737
C -1.309774 0.714465 -0.071641
C -2.633316 0.318417 -0.275388
C 3.198349 0.460921 1.083601
C 1.933087 -0.351569 1.319278
C -2.082475 -2.014942 -0.184212
C -3.065835 -1.015151 -0.328017
C 2.768040 1.408663 -0.005859
C 3.592630 2.481916 -0.613916
H -1.021957 1.770552 -0.060264
H 4.020585 -0.205400 0.762558
H 3.543241 0.968143 2.000374
H -2.338612 -3.076645 -0.265256
H -4.116611 -1.262736 -0.503401
H 1.013800 -2.817488 2.202582
H -5.071043 2.446593 1.401680
H 5.436468 3.169076 -0.428321


