%chk=000120905.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120905

0 1
 S    2.863000      -2.210100      1.0100000E-02
 O    1.686900     -0.3924000      -2.241200    
 N   -3.643300      0.2752000     -0.4631000    
 C   -5.685900      0.1089000      0.6548000    
 C   -4.552400     -1.5300000E-02   1.668200    
 C   -5.040200      0.6882000     -0.5952000    
 C   -3.314200      0.4940000      0.9452000    
 C   -2.760700       1.006200      -1.360000    
 C    1.174500     -0.2307000     -0.9092000    
 C   -1.372400      0.5656000      -1.199000    
 C    1.984800      0.8332000     -0.1608000    
 C    1.310400      -1.602000     -0.2236000    
 C  -0.2341000      0.2046000      -1.063500    
 C    1.597600       1.177900       1.112700    
 C    3.066500       1.399600     -0.7927000    
 C   0.3074000      -2.377400      0.2143000    
 C    2.335200       2.146000       1.794000    
 C    3.804200       2.367600     -0.1112000    
 C   0.8290000      -3.571000      0.7916000    
 C    2.205300      -3.609100      0.7464000    
 C    3.438400       2.740800       1.182200    
 H   -6.110400     -0.8811000      0.4506000    
 H   -6.492200      0.7503000       1.024600    
 H   -4.754400      0.5638000       2.575000    
 H   -4.429700      -1.065000       1.960000    
 H   -5.502700      0.2961000      -1.506400    
 H   -5.144000       1.781000     -0.5925000    
 H   -3.168900       1.558700       1.170500    
 H   -2.425100     -5.6699999E-02   1.268600    
 H   -2.824500       2.088900      -1.192200    
 H   -3.066500      0.8256000      -2.397700    
 H   0.7429000      0.7221000       1.603000    
 H    3.383200       1.133900      -1.795200    
 H  -0.7501000      -2.157800      0.1537000    
 H    1.169100      -1.084800      -2.687800    
 H    2.051000       2.436100       2.801300    
 H    4.663900       2.830600     -0.5868000    
 H   0.2256000      -4.361500       1.218700    
 H    2.855900      -4.391600       1.110500    
 H    4.013100       3.494200       1.712900    


%chk=000120905-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120905

0 1
S 2.873177 -2.364192 0.194017
O 1.870094 -0.405746 -2.265366
N -3.638465 0.296571 -0.418323
C -5.792535 0.044856 0.595728
C -4.671167 -0.091016 1.683635
C -5.070327 0.628400 -0.649748
C -3.417027 0.539732 1.031905
C -2.714404 1.020176 -1.321765
C 1.257996 -0.241748 -0.912146
C -1.316515 0.575881 -1.177468
C 2.104123 0.840123 -0.199184
C 1.283639 -1.579674 -0.182555
C -0.144494 0.216317 -1.052411
C 1.925143 1.055195 1.188893
C 3.015951 1.642421 -0.921419
C 0.227143 -2.383702 0.223714
C 2.657053 2.062656 1.852150
C 3.751773 2.648507 -0.253640
C 0.639527 -3.622154 0.839136
C 2.015603 -3.770569 0.900801
C 3.574536 2.863941 1.131743
H -6.230413 -0.941845 0.369222
H -6.612452 0.707021 0.924083
H -4.934046 0.415050 2.628607
H -4.485682 -1.154768 1.909486
H -5.421118 0.190050 -1.601256
H -5.231215 1.736748 -0.701274
H -3.365636 1.636511 1.258306
H -2.469622 0.081688 1.363641
H -2.759201 2.130311 -1.157552
H -3.043885 0.841183 -2.364391
H 1.221332 0.427708 1.748468
H 3.147132 1.462985 -1.991099
H -0.816150 -2.091153 0.081160
H 1.342289 -1.097014 -2.743008
H 2.516342 2.220355 2.927410
H 4.462534 3.263642 -0.817136
H -0.060556 -4.370697 1.217743
H 2.599868 -4.596078 1.304328
H 4.145856 3.644927 1.646366


