%chk=000010811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010811

0 1
 S   -2.347200       1.157100     -0.6443000    
 S    1.168800      -1.175800      0.2016000    
 O    1.251100      -2.399900     -0.5717000    
 O   0.8078000      -1.216000       1.606200    
 N   -3.182600      -1.070700      0.3066000    
 N   0.1651000     -4.3600000E-02 -0.6271000    
 N   -1.818200      -1.226000      0.1352000    
 N    6.454400       1.527100     -0.1377000    
 C   -4.981800      0.6089000     -6.6999998E-03
 C   -3.520300      0.1026000     -6.3900001E-02
 C   -5.899900     -0.5018000      0.5482000    
 C   -5.455000       1.005700      -1.422100    
 C   -5.164900       1.846700      0.8987000    
 C   -1.261300     -0.1387000     -0.3539000    
 C    2.741600     -0.3713000      0.1003000    
 C    3.117900      0.5015000       1.105400    
 C    3.563300     -0.6313000     -0.9816000    
 C    4.357600       1.135900       1.025700    
 C    4.803200      3.1000001E-03  -1.061200    
 C    5.200200      0.8866000     -5.7500001E-02
 H   -6.945100     -0.1738000      0.5839000    
 H   -5.860000      -1.400700     -7.8500003E-02
 H   -5.607700     -0.7914000       1.564500    
 H   -5.316800      0.1792000      -2.129300    
 H   -6.521000       1.262500      -1.420900    
 H   -4.917100       1.874300      -1.817400    
 H   -6.218900       2.140200      0.9655000    
 H   -4.808600       1.642100       1.915100    
 H   -4.608600       2.714500      0.5273000    
 H   0.5204000      0.8938000     -0.8504000    
 H    2.473100      0.7149000       1.952200    
 H    3.268500      -1.309900      -1.775900    
 H    4.655100       1.823600       1.813100    
 H    5.450300     -0.1982000      -1.911100    
 H    7.064900       1.347700     -0.9237000    
 H    6.742300       2.168900      0.5888000    


%chk=000010811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000010811

0 1
S -2.307376 1.377320 -0.399337
S 1.301191 -1.288224 0.628073
O 1.223714 -2.612833 -0.291015
O 1.091184 -1.344891 2.234776
N -3.262789 -1.020693 0.326441
N 0.146023 0.028692 -0.132989
N -1.871075 -1.180678 0.329051
N 6.519174 1.570172 -0.510453
C -5.150256 0.618806 -0.108114
C -3.700539 0.178242 -0.013809
C -6.068317 -0.581201 0.248130
C -5.454435 1.097848 -1.558564
C -5.403902 1.785889 0.891908
C -1.222536 -0.067613 -0.019264
C 2.889738 -0.372265 0.262531
C 3.454027 0.426038 1.275314
C 3.501213 -0.563399 -0.991187
C 4.671027 1.077586 1.013036
C 4.717094 0.091308 -1.247897
C 5.318087 0.925434 -0.253263
H -7.124898 -0.262024 0.183482
H -5.905839 -1.424369 -0.444105
H -5.865856 -0.946324 1.268965
H -5.270000 0.288734 -2.287239
H -6.515127 1.400238 -1.633407
H -4.828500 1.964771 -1.839308
H -6.464660 2.092989 0.840475
H -5.181387 1.472999 1.927407
H -4.778509 2.666288 0.655058
H 0.606353 0.938512 -0.232402
H 2.962123 0.510957 2.250096
H 3.043980 -1.223929 -1.734992
H 5.131341 1.701077 1.787708
H 5.212369 -0.043563 -2.216042
H 6.994808 1.454885 -1.401173
H 6.963158 2.151022 0.195508


