%chk=000003859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003859

0 1
 S   -1.198900      0.7196000     -0.3181000    
 O   -1.405200       2.011000      0.3204000    
 O    3.129600      -1.195500      -1.516300    
 O    3.200500      -2.027600      0.5818000    
 N    2.962100      0.3587000       1.766100    
 N   -1.192000      0.4788000      -1.847200    
 C   0.3191000      6.9700003E-02  0.3106000    
 C    1.510000      0.8940000     -0.1702000    
 C    2.894100      0.3886000      0.2976000    
 C   -2.413300     -0.3871000      0.3665000    
 C   -3.820300      1.7000000E-03 -6.0199998E-02
 C    4.051300       1.262800     -0.2007000    
 C   -4.862500     -0.9371000      0.5442000    
 C    3.093300      -1.061100     -0.1644000    
 C   -6.267800     -0.5763000      8.9699998E-02
 H   0.3907000     -0.9704000     -2.2100000E-02
 H   0.2464000      8.3099999E-02   1.402500    
 H    1.380600       1.934000      0.1593000    
 H    1.508500      0.9321000      -1.266700    
 H   -2.312900     -0.3437000       1.456000    
 H   -2.167100      -1.400500      3.2699998E-02
 H   -4.033100       1.032700      0.2476000    
 H   -3.900300     -2.1199999E-02  -1.153700    
 H    3.983500       2.281700      0.1976000    
 H    5.024600      0.8473000      8.6599998E-02
 H    4.044300       1.336600      -1.294200    
 H   -4.814300     -0.8919000       1.638500    
 H   -4.646400      -1.971400      0.2522000    
 H    2.807900       1.296400       2.135700    
 H    3.897900      8.7800004E-02   2.067400    
 H  -0.4253000      0.9399000      -2.344200    
 H   -6.358200     -0.6458000     -0.9991000    
 H   -6.997400      -1.259600      0.5354000    
 H   -6.528200      0.4431000      0.3920000    
 H    3.250500      -2.130400      -1.787200    


%chk=000003859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003859

0 1
S -1.044015 0.444107 -1.564191
O -0.774464 1.956942 -0.893138
O 3.749424 -1.324347 -0.178381
O 2.468947 -1.635897 1.728325
N 0.831715 0.505870 1.072325
N -2.012933 0.213876 -2.951011
C 0.781912 -0.402545 -1.704141
C 1.850892 0.539954 -1.168863
C 2.114472 0.410942 0.358373
C -1.979193 -0.667269 -0.314543
C -3.249839 0.039952 0.157374
C 3.157506 1.502322 0.783319
C -4.002637 -0.825946 1.199758
C 2.741417 -0.946942 0.722128
C -5.281717 -0.126837 1.708992
H 0.844506 -0.593673 -2.787678
H 0.665189 -1.341788 -1.140628
H 1.534061 1.585494 -1.361157
H 2.796376 0.368450 -1.713239
H -1.229200 -0.820334 0.480135
H -2.175778 -1.582574 -0.895947
H -2.984624 1.017291 0.605209
H -3.904504 0.242041 -0.710653
H 2.726986 2.498616 0.577966
H 3.370372 1.433706 1.865491
H 4.107653 1.401576 0.228710
H -3.332095 -1.044792 2.055038
H -4.268364 -1.802653 0.747796
H 0.270341 1.321454 0.780297
H 0.898111 0.345160 2.081689
H -1.657773 0.871388 -3.689562
H -5.979518 0.078579 0.876162
H -5.812074 -0.752622 2.449650
H -5.040238 0.838894 2.190738
H 4.170788 -2.168396 0.139756


