%chk=000045382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045382

0 1
 S  -0.1092000       2.579000       1.217500    
 O  -0.5817000     -0.8907000      8.6000003E-03
 N   -4.264600     -0.8395000     -0.1313000    
 C   0.4210000     -4.7899999E-02  0.5599000    
 C   -1.885000     -0.3753000      0.2465000    
 C   -2.904200      -1.321900     -0.3671000    
 C    1.794000     -0.6264000      0.2882000    
 C   0.2786000       1.383800      8.0799997E-02
 C    2.817500     -0.3853000       1.187500    
 C    1.993400      -1.383300     -0.8527000    
 C   0.4269000       1.843400      -1.185000    
 C   -5.240100      -1.744100     -0.7382000    
 C   -4.516900     -0.7032000       1.302800    
 C    4.082000     -0.9183000      0.9375000    
 C    3.258000      -1.916400      -1.102500    
 C   0.2138000       3.251100      -1.240900    
 C  -8.5600004E-02   3.778600     -4.1000000E-03
 C    4.302200      -1.683700     -0.2074000    
 H   0.2814000     -9.3300000E-02   1.650400    
 H   -2.007100     -0.2910000       1.330600    
 H   -2.027200      0.6059000     -0.2170000    
 H   -2.708900      -1.392000      -1.445200    
 H   -2.756000      -2.333700      3.4299999E-02
 H    2.656500      0.2103000       2.081300    
 H    1.199400      -1.568500      -1.569900    
 H   0.6691000       1.230000      -2.043000    
 H   -6.256900      -1.354700     -0.6145000    
 H   -5.199800      -2.749200     -0.3028000    
 H   -5.068000      -1.828400      -1.817100    
 H   -3.999900      0.1624000       1.728400    
 H   -4.245900      -1.603900       1.865700    
 H   -5.581000     -0.5083000       1.485300    
 H    4.895300     -0.7369000       1.634100    
 H    3.430600      -2.510200      -1.995400    
 H   0.2758000       3.846400      -2.142600    
 H  -0.2920000       4.811100      0.2404000    
 H    5.287100      -2.098000     -0.4026000    


%chk=000045382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045382

0 1
S -0.174254 2.784375 1.384531
O -0.613473 -0.715247 -0.043429
N -4.340900 -0.971675 -0.106089
C 0.458491 0.067234 0.608644
C -1.970595 -0.304921 0.349780
C -2.917793 -1.358061 -0.244318
C 1.790811 -0.606599 0.252968
C 0.413533 1.529417 0.213067
C 3.011285 0.020195 0.609789
C 1.822317 -1.869868 -0.384123
C 0.710157 2.112446 -1.010909
C -5.214231 -1.735157 -1.020726
C -4.828372 -1.026362 1.287720
C 4.245667 -0.608365 0.337102
C 3.059725 -2.494739 -0.664112
C 0.489473 3.536791 -1.054196
C 0.020343 4.060381 0.141029
C 4.274806 -1.869849 -0.303110
H 0.309665 -0.001855 1.712740
H -2.035452 -0.259027 1.459222
H -2.216286 0.693813 -0.060524
H -2.683155 -1.438625 -1.321594
H -2.697470 -2.354354 0.217235
H 2.994770 1.005481 1.090537
H 0.877037 -2.344863 -0.657691
H 1.083084 1.527598 -1.855255
H -6.248432 -1.352477 -0.950191
H -5.238996 -2.833786 -0.802403
H -4.871140 -1.601115 -2.061904
H -4.242945 -0.345921 1.929400
H -4.775381 -2.054095 1.732012
H -5.881121 -0.693772 1.321341
H 5.182049 -0.113842 0.619401
H 3.073248 -3.470680 -1.162970
H 0.675846 4.151481 -1.938247
H -0.222338 5.090835 0.394446
H 5.232625 -2.356892 -0.518672


