%chk=000090368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090368

0 1
 S    5.195400      0.8650000       1.839300    
 S  -0.3778000      -4.072500      9.8099999E-02
 O   -1.474500       2.569200     -0.2968000    
 O   -5.037700      -1.348200      0.4124000    
 O    4.372600      7.0200004E-02   3.003700    
 O  -0.9068000      -4.762100      -1.284500    
 O    6.385100      8.5400000E-02   1.544500    
 O    5.290700       2.262700       2.219500    
 O    1.073200      -4.027500      2.6900001E-02
 O   -1.051500      -4.713600       1.213900    
 N   0.5378000      0.9104000     -0.3944000    
 N    4.448600      0.4790000      -3.257300    
 N   -3.226200      -3.195600      0.3518000    
 C    1.933500      0.8293000     -0.5444000    
 C   -1.821400      0.2351000     -7.5000003E-02
 C  -0.4616000     -7.1800001E-02 -0.2052000    
 C   -2.752000     -0.7895000      0.1101000    
 C    2.769400      0.8811000      0.5766000    
 C    2.499700      0.6956000      -1.817200    
 C    4.154000      0.8000000      0.4268000    
 C    4.711100      0.6667000     -0.8452000    
 C    3.883900      0.6146000      -1.967100    
 C   -2.322800      -2.121000      0.1656000    
 C  -0.9668000      -2.422300      3.5700001E-02
 C  -3.8199998E-02  -1.400000     -0.1493000    
 C   -2.260500       1.644200     -0.1349000    
 C   -3.698200       1.953800      3.3000000E-03
 C   -4.189800     -0.4799000      0.2481000    
 C   -4.628900      0.9292000      0.1880000    
 C    2.163400       1.022600       1.938800    
 C    1.611600      0.6384000      -3.022000    
 C    6.196600      0.5792000      -1.014000    
 C   -4.127500       3.285400     -5.2200001E-02
 C   -5.988700       1.236000      0.3174000    
 C   -5.483600       3.586700      7.7299997E-02
 C   -6.412100       2.564300      0.2617000    
 H   0.2013000       1.864900     -0.4525000    
 H    1.016100      -1.637500     -0.2530000    
 H    2.705100       1.728300       2.574500    
 H    1.158700       1.458500       1.894500    
 H    2.054500      4.6999998E-02   2.421700    
 H    1.670800     -0.3521000      -3.485900    
 H   0.5567000      0.8334000      -2.812000    
 H    1.909700       1.398700      -3.752800    
 H    6.723500       1.307900     -0.3894000    
 H    6.553800     -0.4395000     -0.8353000    
 H    6.534500      0.8664000      -2.013700    
 H   -3.425400       4.102400     -0.1950000    
 H   -6.734700      0.4593000      0.4620000    
 H    5.401400      0.1702000      -3.381300    
 H    3.848300      0.4465000      -4.070100    
 H   -2.908100      -4.154000      0.3597000    
 H   -4.216000      -3.019900      0.4497000    
 H   -5.816000       4.619900      3.4200002E-02
 H   -7.467300       2.801600      0.3622000    
 H    4.267600     -0.8998000       2.859700    
 H  -0.5675000      -4.356100      -2.116700    


%chk=000090368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090368

0 1
S 4.702686 -0.477972 1.790927
S 0.275549 -3.649503 0.769128
O -1.686853 2.694287 -0.976099
O -4.841131 -1.365284 1.067242
O 3.313844 -1.497658 2.450253
O -0.015357 -4.409181 -0.891299
O 5.883292 -1.494413 1.343780
O 4.963799 0.592688 2.966642
O 1.868889 -3.364985 0.892185
O -0.467034 -4.555957 1.890599
N 0.444944 1.261083 -0.744756
N 4.628741 1.150187 -3.289646
N -2.796545 -2.933871 1.269649
C 1.868081 1.098719 -0.796907
C -1.813298 0.428620 -0.143802
C -0.396407 0.246368 -0.316458
C -2.630906 -0.641287 0.377946
C 2.556288 0.768713 0.414898
C 2.534788 1.207907 -2.042943
C 3.900754 0.358002 0.247438
C 4.653574 0.477746 -0.941332
C 3.941900 0.967826 -2.090281
C -2.055956 -1.926393 0.724412
C -0.646002 -2.049515 0.461173
C 0.150554 -1.047051 -0.052769
C -2.409123 1.730618 -0.493599
C -3.860215 1.929565 -0.288805
C -4.076669 -0.438423 0.586178
C -4.666727 0.878803 0.234777
C 1.874490 0.948733 1.762428
C 1.794921 1.557255 -3.318246
C 6.133128 0.182855 -1.105276
C -4.451780 3.176636 -0.617698
C -6.056498 1.089030 0.424070
C -5.831282 3.376359 -0.426621
C -6.635918 2.329091 0.096064
H -0.061060 2.136365 -1.004525
H 1.210274 -1.235846 -0.244118
H 2.607853 1.238827 2.533071
H 1.114759 1.743802 1.681743
H 1.384057 0.032393 2.131160
H 2.023523 0.832943 -4.124955
H 0.704486 1.550538 -3.169200
H 2.070283 2.565901 -3.688355
H 6.609172 -0.169437 -0.181276
H 6.299328 -0.608185 -1.863532
H 6.662773 1.097142 -1.440760
H -3.807072 3.964952 -1.017356
H -6.652011 0.265314 0.828405
H 5.617776 0.935437 -3.362651
H 4.156654 1.523961 -4.106491
H -2.345171 -3.795729 1.592470
H -3.804619 -2.726170 1.395664
H -6.285756 4.340016 -0.679674
H -7.709305 2.487560 0.244618
H 3.058373 -2.241540 1.813902
H 0.460165 -5.291643 -0.910895


