%chk=000090296.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090296

0 1
 S   0.1013000      0.8853000      8.9999998E-04
 O    2.883800      0.7006000      1.9999999E-04
 O    3.118300      -1.589400      1.3000000E-03
 O   -1.597200       3.060800     -1.2000001E-03
 N   -2.524500      0.8867000      3.0000001E-04
 N   -3.299000      -2.904800     -1.1000000E-03
 C   9.2699997E-02  -1.683900      1.9999999E-04
 C   0.9474000     -0.6036000      6.9999998E-04
 C   -1.274900      -1.284000     -1.9999999E-04
 C   -1.413300      8.6499996E-02  1.9999999E-04
 C   0.5499000      -3.097400     -6.0000003E-04
 C    2.375300     -0.5802000      1.1000000E-03
 C    4.307000      0.8559000     -6.9999998E-04
 C   -2.552400       2.291400      6.0000003E-04
 C   -2.391800      -2.178300     -7.9999998E-04
 C    4.642000       2.332200     -1.6000000E-03
 C   -3.964500       2.822400      6.9999998E-04
 H  -0.2791000      -3.811000     -1.1000000E-03
 H    1.154800      -3.304900     -0.8898000    
 H    1.154600      -3.306000      0.8886000    
 H   -3.417000      0.3988000      9.9999997E-05
 H    4.723900      0.3795000      0.8933000    
 H    4.722900      0.3786000     -0.8946000    
 H    5.724500       2.487700     -2.3000001E-03
 H    4.213200       2.823900     -0.8811000    
 H    4.214200       2.824800      0.8778000    
 H   -4.482800       2.492500     -0.9040000    
 H   -3.950200       3.915500      2.4000000E-02
 H   -4.498200       2.455800      0.8822000    


%chk=000090296-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090296

0 1
S 0.172013 1.104595 0.000531
O 3.032116 0.707735 -0.000912
O 3.171330 -1.631129 -0.001381
O -1.842748 3.078631 0.002895
N -2.631038 0.892449 0.002202
N -3.365776 -2.705168 0.001753
C 0.134100 -1.599602 -0.000017
C 1.016050 -0.518009 -0.000275
C -1.244774 -1.157928 0.000923
C -1.399148 0.245273 0.001346
C 0.532664 -3.054600 -0.000592
C 2.476927 -0.579225 -0.001117
C 4.521684 0.782585 -0.001324
C -2.826887 2.289010 0.002190
C -2.380634 -2.021056 0.001458
C 4.889509 2.262786 -0.001003
C -4.283161 2.721723 -0.000731
H -0.355129 -3.708159 -0.000156
H 1.155802 -3.291268 -0.880438
H 1.156964 -3.291642 0.878324
H -3.458314 0.285184 0.002346
H 4.896828 0.252253 0.893049
H 4.896298 0.252769 -0.896225
H 5.989238 2.373251 -0.001303
H 4.488404 2.768787 -0.895460
H 4.488946 2.768262 0.893994
H -4.801986 2.365622 -0.909639
H -4.326954 3.819573 0.024249
H -4.821423 2.322695 0.878414


