%chk=000032182.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032182

0 1
 S   0.9155000      -3.342600     -0.6239000    
 O    3.375300      0.2560000       1.405500    
 O   -1.846500      -2.907400     -0.6124000    
 N    1.488300       1.030200      0.3304000    
 N  -0.4153000      -1.157900      5.8699999E-02
 N    2.571000      -3.461200     -0.5350000    
 C    1.658500       2.411200      0.7246000    
 C    2.539700       3.165200     -0.2769000    
 C   0.3034000       3.103900      0.9040000    
 C    1.828400       3.419700      -1.605900    
 C  -0.4041000       3.358400     -0.4270000    
 C   0.4882000       4.119700      -1.402500    
 C    2.382900      3.6600001E-02  0.7117000    
 C    2.088700      -1.310300      0.2027000    
 C    3.043400      -2.303300     -7.9499997E-02
 C   0.8190000      -1.731500     -5.0299998E-02
 C    4.508900      -2.180300      8.1500001E-02
 C   -1.654900      -1.761300     -0.2213000    
 C   -2.849700     -0.9083000      1.5799999E-02
 C   -3.995400      -1.150000     -0.7120000    
 C   -2.771900      9.5799997E-02  0.9576000    
 C   -5.116100     -0.3504000     -0.4875000    
 C   -3.892600      0.8955000       1.182000    
 C   -5.064700      0.6724000      0.4596000    
 H    2.169400       2.414400       1.695600    
 H    3.469800       2.615100     -0.4633000    
 H    2.825800       4.131200      0.1586000    
 H   0.4587000       4.065600       1.409600    
 H  -0.3471000       2.505300       1.552900    
 H    1.669500       2.468900      -2.129100    
 H    2.467700       4.032500      -2.251600    
 H   -1.321200       3.931200     -0.2477000    
 H  -0.7131000       2.407300     -0.8765000    
 H   0.6615000       5.133800      -1.021600    
 H  -2.3499999E-02   4.224300      -2.365900    
 H   0.8118000      0.8372000     -0.3999000    
 H    5.040000      -3.032800     -0.3562000    
 H    4.880500      -1.276400     -0.4124000    
 H    4.775900      -2.132600       1.142200    
 H  -0.4100000     -0.2046000      0.3997000    
 H   -4.050600      -1.938100      -1.457000    
 H   -1.898500      0.2786000       1.573900    
 H   -6.028500     -0.5233000      -1.050700    
 H   -3.855900       1.686000       1.926000    
 H   -5.937800       1.293800      0.6357000    


%chk=000032182-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032182

0 1
S 0.844605 -3.532281 -0.874815
O 3.071793 0.215986 1.586476
O -1.851768 -2.943387 -0.786755
N 1.367750 1.043830 0.216998
N -0.518236 -1.233302 0.031885
N 2.663156 -3.468762 -0.743948
C 1.509051 2.430332 0.738112
C 2.663224 3.195250 0.030236
C 0.171135 3.195816 0.589729
C 2.332168 3.528862 -1.443827
C -0.164493 3.532789 -0.885002
C 0.996136 4.302043 -1.562221
C 2.207753 0.014270 0.678471
C 1.969592 -1.322580 0.057723
C 3.030299 -2.276371 -0.235387
C 0.702885 -1.859245 -0.217403
C 4.501342 -2.011215 -0.030933
C -1.770794 -1.804742 -0.228835
C -2.972091 -0.999468 0.161595
C -4.218392 -1.389097 -0.395081
C -2.925754 0.099906 1.061208
C -5.394239 -0.681396 -0.076178
C -4.105629 0.804485 1.382206
C -5.340976 0.420189 0.810579
H 1.768015 2.317027 1.805879
H 3.591305 2.600618 0.108381
H 2.837611 4.138385 0.586833
H 0.259820 4.142344 1.159040
H -0.649328 2.615642 1.056467
H 2.272025 2.593436 -2.039157
H 3.156072 4.120634 -1.885484
H -1.096096 4.128378 -0.926698
H -0.374934 2.603338 -1.457691
H 1.106287 5.291774 -1.072535
H 0.756495 4.495936 -2.625145
H 0.979819 0.939548 -0.726419
H 5.078179 -2.911313 -0.294148
H 4.842555 -1.169712 -0.661941
H 4.696242 -1.729132 1.017361
H -0.452044 -0.290434 0.435774
H -4.236050 -2.251361 -1.069367
H -1.990700 0.395510 1.553285
H -6.350202 -0.987254 -0.514060
H -4.064051 1.643357 2.085061
H -6.255139 0.968867 1.061928


