%chk=000123988.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123988

0 1
 S  -0.7463000       2.105700     -0.7185000    
 S   0.7765000       2.123900      0.6622000    
 O   -4.836300     -0.1014000      0.3904000    
 O    3.869300      -1.446000      0.5620000    
 N   -3.693200      -1.785800     -0.7696000    
 N    5.089500      0.1720000     -0.6141000    
 C   -3.014500      0.5740000     -0.9773000    
 C    3.184700      0.8156000      0.8106000    
 C   -1.795700      0.7676000     -8.6099997E-02
 C    1.950700      0.9579000     -6.9200002E-02
 C   -3.862500     -0.5475000     -0.4445000    
 C    4.140200     -0.1673000      0.1931000    
 C   -5.260100     -0.9872000       1.434900    
 C    4.197700      -2.481300     -0.3739000    
 H   -2.717900      0.3181000      -2.001600    
 H   -3.621600       1.485800      -1.027800    
 H    2.922600      0.4655000       1.816200    
 H    3.704300       1.775200      0.9198000    
 H   -2.115700       1.010700      0.9334000    
 H   -1.213600     -0.1599000     -4.5299999E-02
 H    1.465600     -1.7300000E-02 -0.1892000    
 H    2.242700       1.313200      -1.063800    
 H   -4.394300      -2.381100     -0.3213000    
 H    5.629600     -0.6443000     -0.9114000    
 H   -6.049000      -1.644500       1.058800    
 H   -5.669100     -0.3788000       2.246100    
 H   -4.422300      -1.570300       1.830500    
 H    3.569200      -3.347600     -0.1499000    
 H    5.245300      -2.769000     -0.2495000    
 H    3.997100      -2.168500      -1.403500    


%chk=000123988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000123988

0 1
S -0.865111 2.110430 -0.898397
S 0.853567 2.220693 0.572844
O -4.584819 -0.085152 0.862466
O 3.691441 -1.452229 0.067501
N -4.261856 -1.707811 -0.940143
N 5.485148 0.196456 -0.163300
C -3.150491 0.496865 -0.968451
C 3.265948 0.815055 0.723989
C -1.919697 0.757904 -0.070220
C 2.048153 0.964757 -0.216125
C -4.054327 -0.560600 -0.366103
C 4.279684 -0.162007 0.162130
C -5.479903 -0.988723 1.600328
C 4.531463 -2.531399 -0.472749
H -2.842142 0.140127 -1.963761
H -3.726098 1.434092 -1.087552
H 2.926571 0.452079 1.712396
H 3.780422 1.779802 0.858647
H -2.219798 1.121180 0.923220
H -1.299609 -0.147322 0.028679
H 1.517695 0.008000 -0.332794
H 2.345334 1.354592 -1.202003
H -4.900695 -2.358534 -0.442837
H 6.101474 -0.552074 -0.535650
H -6.386564 -1.224583 1.010525
H -5.760148 -0.431763 2.505359
H -4.961315 -1.925371 1.882340
H 3.886524 -3.421292 -0.468667
H 5.417188 -2.707796 0.167485
H 4.854862 -2.307974 -1.507659


