%chk=000122434.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122434

0 1
 S    2.847000       1.886500     -0.1028000    
 S   -9.154700      0.2695000     -1.3700000E-02
 O   -2.555000       1.793300     -0.1198000    
 O   -9.473800      0.9691000      -1.456700    
 O   -9.773000      -1.048300     -3.5200000E-02
 O   -9.482100       1.225000       1.033200    
 N    3.808800     -0.6009000      0.1532000    
 N   -3.271500     -0.4685000      9.5899999E-02
 N   -2.663600      -1.715700      0.2216000    
 C    4.963200      0.2220000      4.6999998E-02
 C    6.351500     -0.1271000      5.4499999E-02
 C    4.612000       1.596300     -8.6700000E-02
 C    2.618000      0.1379000      7.3200002E-02
 C    3.873300      -2.037700      0.3454000    
 C    7.300900      0.9372000     -5.5399999E-02
 C    1.352300     -0.3124000      0.1100000    
 C    5.544100       2.612500     -0.1954000    
 C   0.1482000      0.4958000      2.3000000E-02
 C    6.886700       2.273400     -0.1752000    
 C   -1.059000     -9.1600001E-02  7.3600002E-02
 C    6.907300      -1.431500      0.1544000    
 C    4.125700      -2.730900     -0.9796000    
 C    8.681900      0.6782000     -5.0400000E-02
 C   -1.374900      -1.513200      0.2119000    
 C   -2.361600      0.5986000     -2.0999999E-03
 C    8.286200      -1.671400      0.1567000    
 C   0.2655000       1.987800     -0.1236000    
 C    9.174300     -0.6162000      5.6100000E-02
 C   -4.646600     -0.2957000      6.9600001E-02
 C  -0.3518000      -2.590800      0.3245000    
 C   -5.219400      0.8840000      0.5574000    
 C   -5.475000      -1.299700     -0.4444000    
 C   -7.422900      5.2600000E-02  1.8100001E-02
 C   -6.603200       1.057600      0.5319000    
 C   -6.858800      -1.125900     -0.4701000    
 H    4.595600      -2.300100       1.122600    
 H    2.941500      -2.435700      0.7617000    
 H    1.333700      -1.365800      0.1776000    
 H    5.245700       3.651200     -0.2938000    
 H    7.619900       3.074300     -0.2593000    
 H    6.314900      -2.327900      0.2382000    
 H    3.238600      -2.653400      -1.619100    
 H    4.956500      -2.308800      -1.550600    
 H    4.321400      -3.795800     -0.8185000    
 H    9.398500       1.494300     -0.1324000    
 H    8.657900      -2.689000      0.2379000    
 H   0.6714000       2.463000      0.7770000    
 H  -0.6760000       2.523800     -0.1795000    
 H   0.6787000       2.278500      -1.096400    
 H    10.24460     -0.7967000      5.7500001E-02
 H   0.2294000      -2.508900       1.246500    
 H   0.2220000      -2.707600     -0.5985000    
 H  -0.8961000      -3.539500      0.4291000    
 H   -4.627200       1.675500       1.005600    
 H   -5.058400      -2.223600     -0.8378000    
 H   -7.020100       1.983000      0.9192000    
 H   -7.477000      -1.918200     -0.8826000    
 H   -9.229000      0.4349000      -2.248800    


%chk=000122434-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122434

0 1
S 3.302703 2.310652 0.064347
S -9.316603 -0.224490 -0.051826
O -2.658111 2.014802 0.044909
O -9.509857 -0.214818 -1.908869
O -9.904324 -1.627869 0.502399
O -9.893507 1.179304 0.513970
N 3.942419 -0.262744 0.119877
N -3.265189 -0.296702 0.063596
N -2.621041 -1.562164 0.093582
C 5.199702 0.408459 0.056232
C 6.536842 -0.152160 -0.018585
C 5.042067 1.808858 0.070241
C 2.798709 0.559436 0.080336
C 3.777140 -1.715460 0.393328
C 7.646914 0.792464 0.047679
C 1.486617 0.076921 0.070449
C 6.123865 2.722165 0.103500
C 0.246145 0.799555 0.097518
C 7.416696 2.206419 0.117962
C -0.995772 0.115108 0.089164
C 6.868200 -1.540245 -0.195267
C 3.555029 -2.566386 -0.874270
C 8.994557 0.304522 0.012453
C -1.300488 -1.320044 0.106313
C -2.328349 0.783764 0.065515
C 8.194634 -1.978567 -0.240809
C 0.261795 2.317164 0.131076
C 9.274300 -1.055005 -0.117120
C -4.678384 -0.256638 0.034995
C -0.401557 -2.528696 0.153747
C -5.376259 0.985832 0.012532
C -5.399031 -1.485712 0.034553
C -7.459886 -0.236131 -0.025402
C -6.782930 0.994606 -0.022499
C -6.803555 -1.479150 -0.000443
H 4.659098 -2.052333 0.959061
H 2.919192 -1.823486 1.080011
H 1.400280 -1.006854 0.008661
H 5.940870 3.800129 0.129008
H 8.279049 2.879646 0.163633
H 6.089333 -2.288395 -0.334991
H 2.653989 -2.242709 -1.422178
H 4.406413 -2.495366 -1.572608
H 3.423744 -3.627193 -0.594431
H 9.810237 1.033861 0.077347
H 8.404015 -3.043867 -0.384652
H 0.810203 2.683292 1.020868
H -0.758794 2.725064 0.155876
H 0.772475 2.724204 -0.763606
H 10.308860 -1.411480 -0.144425
H 0.251019 -2.524163 1.047632
H 0.237053 -2.609774 -0.746522
H -1.035893 -3.429300 0.199201
H -4.809574 1.918349 0.018681
H -4.841637 -2.423593 0.057978
H -7.338482 1.937296 -0.031293
H -7.375903 -2.411710 0.007217
H -10.492539 -0.181370 -2.099950


