%chk=000058043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058043

0 1
 S   -3.084500      -2.042900      -1.131900    
 O    1.346300      -2.114000       1.126400    
 O    1.851500      5.5900000E-02   1.636400    
 N  -0.4997000       2.886400      0.8377000    
 N    2.277400     -0.7502000     -0.5045000    
 C   0.6624000       1.769500     -0.6884000    
 C    1.732700       1.382400      -1.629500    
 C  -0.5503000       1.064700     -0.4491000    
 C    2.816500      0.4824000      -1.013400    
 C   -1.260900       1.786400      0.5123000    
 C   0.6643000       2.885000      0.1170000    
 C   -1.113500     -0.1217000     -0.9598000    
 C   -2.511500       1.379400      0.9907000    
 C   -2.363600     -0.5411000     -0.4906000    
 C   -3.050200      0.1994000      0.4696000    
 C    2.223900      -1.880600      -1.438600    
 C    1.824000     -0.8662000      0.8231000    
 C   -1.834400      -3.274900     -0.6715000    
 C   0.8695000      -2.299800       2.464400    
 H    2.217800       2.285700      -2.021400    
 H    1.293300      0.8798000      -2.500300    
 H    3.591400      0.2595000      -1.755700    
 H    3.303100       1.019400     -0.1899000    
 H    1.388700       3.677500      0.2441000    
 H  -0.7628000       3.592300       1.511400    
 H  -0.5829000     -0.6882000      -1.719300    
 H   -3.046400       1.955200       1.738300    
 H   -4.021900     -0.1289000      0.8332000    
 H    1.699300      -1.567800      -2.345700    
 H    1.714000      -2.751000      -1.022600    
 H    3.249800      -2.162600      -1.693500    
 H   -2.205500      -4.272200     -0.9219000    
 H   -1.637800      -3.234900      0.4032000    
 H  -0.9037000      -3.105000      -1.218300    
 H    1.677600      -2.129000       3.181700    
 H   0.5256000      -3.333000       2.561100    
 H   2.7100001E-02  -1.629700       2.660500    


%chk=000058043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058043

0 1
S -2.949352 -2.141231 -1.267410
O 1.479133 -2.371876 0.888122
O 2.117390 -0.287482 1.761926
N -0.683489 3.080775 0.691575
N 2.344876 -0.765628 -0.531040
C 0.674962 1.912451 -0.735434
C 1.871560 1.515179 -1.564085
C -0.553691 1.159831 -0.534113
C 2.879468 0.577309 -0.830732
C -1.385417 1.917146 0.367251
C 0.551943 3.074328 0.026553
C -1.038851 -0.077041 -1.033519
C -2.662768 1.471794 0.773873
C -2.305425 -0.531376 -0.621241
C -3.113763 0.234699 0.271638
C 2.285320 -1.740371 -1.631113
C 1.996726 -1.060229 0.772541
C -2.152308 -3.314480 -0.010043
C 1.081821 -2.739033 2.262386
H 2.438795 2.418858 -1.861775
H 1.543463 1.034349 -2.506973
H 3.782363 0.455813 -1.463443
H 3.178217 1.036659 0.125786
H 1.258094 3.893793 0.150509
H -1.011343 3.812790 1.317111
H -0.447537 -0.680127 -1.729306
H -3.288907 2.058099 1.455456
H -4.097581 -0.150721 0.557756
H 1.762124 -1.307661 -2.504383
H 1.744401 -2.637334 -1.302842
H 3.305746 -2.032896 -1.950002
H -2.416456 -4.336600 -0.326162
H -2.554445 -3.114421 0.995411
H -1.059505 -3.180774 -0.020447
H 1.943344 -2.664850 2.947117
H 0.729618 -3.778157 2.182761
H 0.278072 -2.074382 2.621490


