%chk=000067203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067203

0 1
 S    1.385100       2.846100       1.427300    
 S    4.070400      -1.863600     -0.3064000    
 O   -1.659200      0.8784000       1.953700    
 O   -1.032600      -3.473500      -1.081600    
 O    4.187400      -1.558400      -1.906400    
 O   0.9086000       3.914900       2.285200    
 O    2.781600       2.802900       1.038400    
 O    4.988800     -0.9630000      0.3703000    
 O    4.152000      -3.300500     -0.1094000    
 N   0.9128000       1.336400       2.104400    
 N    1.546200      -3.257600      -1.100900    
 C  -0.1253000     -0.5616000      0.8641000    
 C   3.9799999E-02  -1.698600      7.0400000E-02
 C   0.9953000      0.1618000       1.289500    
 C    1.325600      -2.112100     -0.2982000    
 C    2.439700      -1.388200      0.1278000    
 C   -1.476300     -0.1138000       1.259700    
 C   -2.649900     -0.8868000      0.8046000    
 C   -2.484800      -2.024000      1.1200000E-02
 C   -1.133900      -2.471400     -0.3851000    
 C    2.274900     -0.2537000      0.9199000    
 C   -3.935700     -0.4734000       1.173300    
 C   -3.605400      -2.747800     -0.4137000    
 C   0.4139000       2.903900     -5.1100001E-02
 C   -5.049700      -1.197600      0.7479000    
 C   -4.884900      -2.332200     -4.4100001E-02
 C  -0.8446000       3.475800     -7.6000001E-03
 C   0.9329000       2.376300      -1.219600    
 C   -1.105000       2.994500      -2.360600    
 C   -1.610800       3.521200      -1.172400    
 C   0.1668000       2.422000      -2.384400    
 C   -1.923700       3.043500      -3.606400    
 H    3.138200      0.2984000       1.277900    
 H   0.1207000       1.361200       2.758700    
 H   -4.093300      0.4077000       1.789500    
 H   -3.506600      -3.636200      -1.031700    
 H    2.476300      -3.527900      -1.386500    
 H   0.7663000      -3.808000      -1.431100    
 H   -6.047000     -0.8761000       1.034100    
 H   -5.754000      -2.894000     -0.3742000    
 H   -1.259800       3.882700      0.9092000    
 H    1.920500       1.928200      -1.260600    
 H   -2.601900       3.965800      -1.140300    
 H   0.5711000       2.006400      -3.303600    
 H    4.067900     -0.6148000      -2.166900    
 H   -2.536100       2.140200      -3.688700    
 H   -2.584200       3.917200      -3.611000    
 H   -1.287400       3.118500      -4.494700    


%chk=000067203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067203

0 1
S 0.283854 2.847512 1.265224
S 2.964965 -1.192030 -1.576792
O -2.862737 0.180441 1.794799
O -0.984800 -4.747766 0.149305
O 2.158522 -1.180816 -3.248698
O -0.722295 3.777961 2.128812
O 1.723257 2.345784 1.831451
O 3.727867 0.213285 -1.352431
O 3.778676 -2.594489 -1.441925
N -0.801180 1.364458 0.896354
N 1.172853 -3.676005 -0.795751
C -1.096650 -1.074635 0.719151
C -0.606880 -2.356352 0.279924
C -0.325247 0.123595 0.504413
C 0.667199 -2.473771 -0.398699
C 1.367182 -1.233548 -0.602319
C -2.393961 -0.965567 1.417023
C -3.166643 -2.196682 1.689532
C -2.683344 -3.462651 1.253352
C -1.391170 -3.580358 0.529460
C 0.923968 0.005363 -0.180050
C -4.402756 -2.111267 2.380750
C -3.443985 -4.630732 1.511739
C 0.571479 3.631433 -0.425709
C -5.149414 -3.276202 2.636537
C -4.668951 -4.539067 2.199723
C -0.461774 4.406592 -0.974537
C 1.821651 3.448558 -1.038538
C 1.011215 4.843783 -2.906610
C -0.226067 5.011588 -2.228296
C 2.027499 4.064891 -2.291820
C 1.239109 5.474172 -4.267414
H 1.541033 0.884483 -0.378169
H -1.714545 1.344218 1.424608
H -4.749159 -1.124884 2.703134
H -3.050523 -5.590288 1.163788
H 2.124982 -3.738731 -1.172805
H 0.571588 -4.497729 -0.603819
H -6.101674 -3.209453 3.172969
H -5.252697 -5.443830 2.399575
H -1.404616 4.548503 -0.437016
H 2.617114 2.876179 -0.548641
H -1.012353 5.625113 -2.682060
H 2.994440 3.940315 -2.791589
H 2.881676 -1.289206 -3.933898
H 1.019871 4.749688 -5.075426
H 0.587115 6.350164 -4.424715
H 2.287008 5.797181 -4.393998


