%chk=000022083.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022083

0 1
 S   0.7053000      -1.023300      0.1231000    
 S    3.694700     -0.7408000      0.1814000    
 S   -1.258500      0.1600000      -2.543400    
 P  -0.9999000      2.1100000E-02 -0.6033000    
 O   -2.301600     -0.6206000      0.1504000    
 O   -1.013600       1.482200      0.1309000    
 O    3.773000     -0.6414000       1.676500    
 C   -2.727500      -1.938800     -0.1512000    
 C   -2.139800       2.335300      1.2100000E-02
 C    2.121000      2.3000001E-03 -0.3401000    
 C   -3.988500      -2.251200      0.6402000    
 C   -1.603300      -2.913100      0.1661000    
 C   -1.855300       3.643800      0.7337000    
 C   -3.363500       1.630600      0.5776000    
 C    4.744500      0.5654000     -0.5014000    
 C    6.213000      0.2885000     -0.2528000    
 H   -2.978600      -2.003300      -1.215000    
 H   -2.307800       2.571900      -1.043600    
 H    2.022400      0.9877000      0.1234000    
 H    2.136800      0.1158000      -1.427100    
 H   -4.363700      -3.254600      0.4175000    
 H   -4.774700      -1.525100      0.4069000    
 H   -3.801300      -2.176100       1.717000    
 H   -2.004300      -3.934200      0.2025000    
 H  -0.8606000      -2.944800     -0.6332000    
 H   -1.151100      -2.723800       1.143300    
 H   -2.690900       4.344000      0.6395000    
 H  -0.9558000       4.116500      0.3248000    
 H   -1.661900       3.468000       1.797700    
 H   -4.144800       2.367500      0.8022000    
 H   -3.825400      0.9627000     -0.1546000    
 H   -3.150700       1.100600       1.511500    
 H    4.460200       1.518700     -4.4900000E-02
 H    4.558200      0.6265000      -1.578200    
 H    6.431700      0.2351000      0.8190000    
 H    6.519500     -0.6607000     -0.7049000    
 H    6.827900       1.084400     -0.6845000    


%chk=000022083-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022083

0 1
S 0.887823 0.656218 2.090662
S 2.723187 -0.926714 0.022841
S 0.046955 1.298323 -1.479957
P -0.701678 0.862846 0.415199
O -1.700326 -0.545786 0.528609
O -1.708517 2.017173 1.193271
O 3.681436 -1.818444 1.066018
C -1.214243 -1.859564 -0.054266
C -2.799008 2.722932 0.409510
C 2.377165 0.753602 0.990804
C -2.365200 -2.376502 -0.922418
C -0.844051 -2.779272 1.113867
C -2.964158 4.062822 1.129340
C -4.064414 1.857312 0.399108
C 4.017618 -0.118474 -1.224276
C 4.963354 -1.221815 -1.690757
H -0.326729 -1.647600 -0.684801
H -2.415531 2.876576 -0.619874
H 3.259923 0.873936 1.639001
H 2.265914 1.552714 0.240950
H -2.093608 -3.354635 -1.360286
H -2.585970 -1.673329 -1.743257
H -3.275739 -2.509863 -0.312225
H -0.505691 -3.758198 0.726809
H -0.029236 -2.348754 1.720073
H -1.720500 -2.943291 1.764812
H -3.749862 4.659852 0.631276
H -2.021688 4.634771 1.116221
H -3.262138 3.898753 2.179470
H -4.860426 2.368001 -0.174324
H -3.872711 0.873338 -0.061279
H -4.424791 1.692082 1.429243
H 4.535790 0.658724 -0.636451
H 3.400291 0.337946 -2.015055
H 5.355373 -1.769147 -0.813177
H 4.459156 -1.945000 -2.355721
H 5.817333 -0.784732 -2.239861


