%chk=000227019.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227019

0 1
 S    2.430300      -2.005800      0.4976000    
 O    2.158400      -2.232700       1.903800    
 O    3.489600      -2.735600     -0.1727000    
 N   0.9855000      -2.185700     -0.3918000    
 N  -0.1212000      -1.345900      2.9200001E-02
 N    3.519100       3.804500     -0.1448000    
 C   -2.370600     -0.5819000     -0.2662000    
 C   -2.519000      0.6802000     -0.8002000    
 C   -1.213700      -1.428900     -0.6686000    
 C   -4.530300      0.9451000      0.5119000    
 C   -3.611500       1.453000     -0.4066000    
 C   -3.264200      -1.108200      0.6433000    
 C    2.754100     -0.2778000      0.3063000    
 C   -4.356600     -0.3355000       1.036800    
 C   -1.550100       1.248100      -1.785400    
 C   -1.381700      -2.343400      -1.864700    
 C    2.235300      0.6122000       1.230100    
 C    3.519900      0.1512000     -0.7635000    
 C   -5.698400       1.771100      0.9332000    
 C    3.260000       2.426300      7.3000002E-03
 C    2.490300       1.975300       1.079400    
 C    3.774900       1.514400     -0.9141000    
 H   -3.752800       2.451400     -0.8141000    
 H   -3.134700      -2.104800       1.055100    
 H   -5.066400     -0.7433000       1.751700    
 H   -1.526100      0.6393000      -2.695000    
 H   -1.821300       2.266800      -2.083300    
 H  -0.5448000       1.294800      -1.353700    
 H    1.048400      -2.438100      -1.384500    
 H  -0.7033000      -2.033300      -2.664300    
 H   -2.406200      -2.296200      -2.245300    
 H   -1.168900      -3.376500      -1.576000    
 H    1.628400      0.2826000       2.067700    
 H    3.922700     -0.5428000      -1.494700    
 H   -6.530900       1.626700      0.2375000    
 H   -6.033400       1.500700       1.940400    
 H   -5.439700       2.835200      0.9569000    
 H    2.082100       2.676300       1.803100    
 H    4.374900       1.853800      -1.754600    
 H    3.144300       4.466500      0.5215000    
 H    4.075300       4.132100     -0.9233000    


%chk=000227019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227019

0 1
S 2.489055 -2.105066 0.493955
O 2.137070 -2.579680 1.998431
O 3.593573 -2.849072 -0.445802
N 0.885996 -2.365303 -0.540792
N -0.098270 -1.464671 -0.226032
N 3.661835 3.834264 0.555272
C -2.253659 -0.460217 -0.501920
C -3.026325 0.392609 -1.352089
C -1.166709 -1.350151 -1.003371
C -4.352935 1.150602 0.612971
C -4.055724 1.175825 -0.771364
C -2.530730 -0.467046 0.894100
C 2.836763 -0.273875 0.508464
C -3.557959 0.320793 1.444389
C -2.755005 0.542268 -2.842974
C -1.327363 -2.205209 -2.250202
C 2.172494 0.535542 1.450199
C 3.767253 0.236599 -0.416219
C -5.493177 1.974595 1.184824
C 3.388334 2.472369 0.539121
C 2.451230 1.911916 1.461780
C 4.045460 1.613520 -0.395862
H -4.637077 1.839854 -1.424997
H -1.920795 -1.111680 1.535003
H -3.751912 0.286227 2.523332
H -3.260254 -0.241636 -3.440041
H -3.128938 1.515199 -3.206304
H -1.676941 0.487828 -3.074532
H 1.198684 -2.500177 -1.524754
H -0.627095 -1.913623 -3.060714
H -2.348796 -2.153298 -2.651616
H -1.106994 -3.261351 -1.994702
H 1.462240 0.094421 2.155210
H 4.277744 -0.437391 -1.112248
H -6.439438 1.398752 1.183643
H -5.293357 2.271292 2.229704
H -5.668053 2.891892 0.594954
H 1.943313 2.561855 2.183293
H 4.776675 2.031300 -1.097429
H 3.204046 4.450700 1.220721
H 4.333444 4.240423 -0.090002


