%chk=000177362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177362

0 1
 S   0.8948000       1.448700     -0.9950000    
 O    1.532000      -1.548900       1.053800    
 O    5.885500      -2.752800     -0.4660000    
 O    1.728200       2.097600      -2.056000    
 O   -1.469600      0.5825000       1.708500    
 N   -2.690600      0.6714000     -0.2931000    
 N   0.3894000       3.959800     -0.5475000    
 N   -4.694700      -3.008500     -0.3264000    
 C    1.972500       1.209100      0.4529000    
 C    2.999000      0.1511000      0.2149000    
 C  -0.1329000       2.749900     -0.2854000    
 C    2.733600      -1.182400      0.5262000    
 C   -1.286400       2.509900      0.4192000    
 C    4.234200      0.5089000     -0.3253000    
 C    3.703500      -2.158300      0.2974000    
 C    4.938900      -1.800600     -0.2427000    
 C    5.204200     -0.4671000     -0.5541000    
 C   -3.367200     -0.5732000     -0.3043000    
 C   -1.807900       1.175200      0.6719000    
 C   -1.974600       3.616500      0.9043000    
 C   -4.202300     -0.8788000      -1.359300    
 C   -3.179700      -1.455200      0.7400000    
 C   -4.842000      -2.107300      -1.323400    
 C   -3.865100      -2.657900      0.6820000    
 C   -1.482100       4.894600      0.6643000    
 C  -0.3069000       5.011300     -6.0400002E-02
 C   -5.758200      -2.488600      -2.437900    
 C   -3.701000      -3.648300       1.786300    
 C    1.419200      -1.541100       2.475400    
 C    7.126100      -2.317500      -1.020400    
 H    1.344800      0.9792000       1.317500    
 H    2.462000       2.164900      0.6768000    
 H    4.453500       1.544200     -0.5734000    
 H    3.497700      -3.198100      0.5388000    
 H    6.141300     -0.1202000     -0.9761000    
 H   -2.881400       1.270100      -1.094400    
 H   -2.894800       3.495800       1.469800    
 H   -4.355500     -0.1905000      -2.183800    
 H   -2.544200      -1.285600       1.594800    
 H   -2.001800       5.771600       1.032700    
 H   0.1191000       5.986000     -0.2747000    
 H   -5.214200      -2.509400      -3.387600    
 H   -6.583700      -1.773700      -2.513600    
 H   -6.186600      -3.482700      -2.272600    
 H   -2.652600      -3.950700       1.873900    
 H   -4.297100      -4.547800       1.599900    
 H   -4.030000      -3.216600       2.736900    
 H   0.3592000      -1.609300       2.735300    
 H    1.937100      -2.410900       2.891400    
 H    1.829900     -0.6251000       2.911500    
 H    6.992800      -1.893100      -2.021300    
 H    7.650200      -1.632500     -0.3453000    
 H    7.759300      -3.203900      -1.131000    


%chk=000177362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177362

0 1
S 0.528144 1.982462 -1.141877
O 0.928225 -1.064151 0.998778
O 4.854352 -3.087918 -1.001344
O 1.515659 2.761677 -2.216422
O -2.934355 1.724820 2.074065
N -2.116136 0.825211 0.070533
N 0.154102 4.597389 -0.287142
N -3.457112 -3.213804 0.155908
C 1.769034 1.515020 0.404718
C 2.598785 0.349703 0.033777
C -0.412336 3.395647 -0.114077
C 2.163950 -0.981626 0.343454
C -1.551195 3.154391 0.707234
C 3.815665 0.500294 -0.672073
C 2.941190 -2.099911 -0.008652
C 4.163817 -1.906656 -0.701642
C 4.608387 -0.606071 -1.043726
C -2.599807 -0.505741 0.146133
C -2.248603 1.841202 1.011410
C -2.079806 4.291367 1.381264
C -2.310433 -1.367357 -0.945884
C -3.337399 -1.021167 1.242632
C -2.752525 -2.707869 -0.906576
C -3.743976 -2.378299 1.203377
C -1.500975 5.562844 1.201151
C -0.378925 5.677866 0.349856
C -2.478117 -3.668637 -2.043899
C -4.541322 -2.986388 2.338248
C 0.432586 -2.394438 1.373949
C 6.117795 -2.968109 -1.736142
H 1.081347 1.335658 1.242300
H 2.314555 2.467698 0.483120
H 4.139249 1.511815 -0.939226
H 2.639264 -3.123386 0.225446
H 5.541997 -0.446054 -1.588615
H -1.569854 1.035369 -0.773359
H -2.935823 4.133594 2.045074
H -1.743093 -1.003735 -1.809980
H -3.585497 -0.380515 2.088456
H -1.904030 6.444771 1.707196
H 0.113370 6.639743 0.171719
H -1.839659 -3.216560 -2.821266
H -3.428226 -3.987675 -2.509637
H -1.988295 -4.582498 -1.663488
H -4.682310 -2.273781 3.167427
H -4.035407 -3.890360 2.721533
H -5.534430 -3.307462 1.974863
H -0.534155 -2.212124 1.864158
H 0.280497 -3.027352 0.479537
H 1.129776 -2.891767 2.074702
H 5.961708 -2.500959 -2.727358
H 6.861609 -2.383640 -1.161266
H 6.473641 -4.000832 -1.862967


