%chk=000075122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075122

0 1
 S    2.723900      0.5219000      0.9244000    
 S  -3.9999999E-04   1.844200       1.235300    
 S   -2.844200       1.930000      0.1519000    
 O   -3.596400     -0.6010000      0.3757000    
 O   -4.382100      0.5297000      -1.459600    
 N   0.5074000      4.4399999E-02 -0.5166000    
 N  -0.8223000      0.3812000     -0.7009000    
 C    4.676200      -1.181800     -0.1216000    
 C    5.673000     -4.6799999E-02 -0.3709000    
 C    3.214600     -0.7587000     -0.2675000    
 C    7.108000     -0.5483000     -0.3121000    
 C    1.034500      0.7365000      0.4566000    
 C   -1.213300       1.307800      0.1476000    
 C   -4.300600      -1.771300     -5.4499999E-02
 C   -4.057200      -2.886600      0.9397000    
 C   -3.721100      0.4990000     -0.4276000    
 H    4.842000      -1.607100      0.8764000    
 H    4.869400      -1.990200     -0.8383000    
 H    5.489400      0.3991000      -1.355400    
 H    5.555900      0.7472000      0.3738000    
 H    3.047100     -0.3866000      -1.284500    
 H    2.579700      -1.639600     -0.1214000    
 H    7.805100      0.2758000     -0.4932000    
 H    7.287000      -1.316800      -1.070900    
 H    7.334100     -0.9753000      0.6702000    
 H   -5.372700      -1.552300     -0.1102000    
 H   -3.937900      -2.071900      -1.043800    
 H   -4.581400      -3.798600      0.6408000    
 H   -2.986900      -3.103800       1.020200    
 H   -4.397900      -2.593700       1.938300    


%chk=000075122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075122

0 1
S 2.371770 0.107459 0.658397
S -0.508458 1.333855 0.890261
S -3.111703 2.005200 -0.821743
O -3.458768 -0.507555 0.115073
O -5.440761 0.693001 -0.250013
N 0.504033 0.342311 -1.385295
N -0.791197 0.776692 -1.716413
C 4.610452 -1.208782 -0.448630
C 5.626412 -0.173632 0.089383
C 3.259265 -0.621238 -0.878538
C 6.993407 -0.811384 0.415974
C 0.811190 0.546477 -0.094648
C -1.454569 1.300108 -0.691674
C -4.244250 -1.716350 0.566591
C -3.217535 -2.783300 0.919796
C -4.204455 0.583471 -0.259509
H 4.454253 -2.009462 0.301598
H 5.042154 -1.703493 -1.343454
H 5.757791 0.630110 -0.662826
H 5.218584 0.313963 0.996794
H 3.362589 0.203812 -1.601401
H 2.576462 -1.378086 -1.294553
H 7.707530 -0.057252 0.792920
H 7.439099 -1.279476 -0.482068
H 6.892261 -1.596066 1.189204
H -4.864824 -1.411351 1.427798
H -4.907171 -2.014118 -0.264853
H -3.738628 -3.697497 1.257961
H -2.598181 -3.039832 0.044087
H -2.553853 -2.441187 1.731681


