%chk=000110854.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110854

0 1
 S    7.577400      -3.044300      0.3000000    
 S    4.926100     -0.8504000      0.4854000    
 S   -8.816100      -3.349100     -0.6195000    
 O    6.417400      -3.065200       1.446200    
 O   -3.604500      0.1556000       2.201300    
 O    7.125600      -3.888900     -0.7898000    
 O    8.860700      -3.261300      0.9394000    
 O   -2.744300       4.746300     -6.7199998E-02
 O   -10.14090      -2.825200      0.1829000    
 O   -3.321100       4.005600      -2.166300    
 O   -9.156900      -3.367500      -2.034600    
 O   -8.333800      -4.551400      4.2599998E-02
 N   -4.717300      0.8531000      0.2237000    
 N    5.336800       1.499400     -0.4953000    
 N   -4.612600       1.891200     -0.6810000    
 N   -1.613900       1.782200      0.6779000    
 N  -0.7863000       2.370600       1.409200    
 C    7.591800      -1.384600     -0.2908000    
 C    6.480200     -0.5325000     -0.1899000    
 C   -2.989300       2.173400      0.9842000    
 C    6.511600      0.7816000     -0.6666000    
 C    8.754100     -0.8891000     -0.8873000    
 C   -3.778000      0.9251000       1.271100    
 C   -5.675500     -0.1283000      2.7100001E-02
 C   -3.644500       2.636800     -0.2635000    
 C    4.441900      0.7434000      9.6600004E-02
 C    7.698600       1.257200      -1.264900    
 C    8.809000      0.4143000      -1.368700    
 C    3.101600       1.160800      0.4333000    
 C    9.975800      -1.740700      -1.029400    
 C   -5.785700      -1.197900      0.9231000    
 C   -6.542200     -6.0500000E-02  -1.069700    
 C   -7.609900      -2.112000     -0.3708000    
 C    2.531300       2.257500     -0.2115000    
 C    2.378800      0.4664000       1.402600    
 C   -6.749700      -2.186500      0.7247000    
 C   -7.506200      -1.049000      -1.267900    
 C   0.5121000       1.966400       1.083100    
 C    1.235900       2.660600      0.1136000    
 C    1.083600      0.8693000       1.727500    
 C   -3.221600       3.867500     -0.9607000    
 H   -3.106900       2.895600       1.798400    
 H    7.752400       2.274000      -1.643800    
 H    9.714000      0.8012000      -1.830800    
 H    10.66800      -1.304300      -1.760500    
 H    10.52410      -1.802700     -8.4700003E-02
 H    9.745200      -2.737400      -1.417700    
 H   -5.159000      -1.324500       1.795100    
 H   -6.495000      0.7519000      -1.790200    
 H    3.074100       2.812500     -0.9728000    
 H    2.773300     -0.3775000       1.960200    
 H   -6.817700      -3.001000       1.440500    
 H   -8.170400     -0.9670000      -2.123700    
 H   0.7988000       3.516600     -0.3942000    
 H   0.5290000      0.3265000       2.488800    
 H    5.489800      -3.053300       1.112300    
 H   -2.451600       5.582500     -0.4885000    
 H   -10.52100      -1.974000     -0.1390000    


%chk=000110854-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110854

0 1
S 8.332041 -2.715682 -1.500161
S 5.204511 -0.913419 -0.744456
S -9.619264 -2.978820 0.923251
O 6.528898 -3.079894 -1.724817
O -3.727824 0.811787 1.960329
O 8.955580 -2.335095 -2.944870
O 9.005751 -3.924147 -0.668623
O -2.459888 3.906180 -2.230485
O -10.756391 -1.725333 1.692917
O -4.144987 3.071701 -3.620206
O -10.251227 -3.452421 -0.488543
O -9.215432 -4.064385 2.052914
N -5.014538 0.841921 -0.066443
N 5.611796 1.234942 0.839203
N -4.955365 1.492555 -1.315380
N -1.714118 1.621033 -0.253544
N -0.822036 2.287206 0.415458
C 8.118412 -1.172797 -0.405306
C 6.880341 -0.541883 -0.179085
C -3.081523 2.202966 -0.040921
C 6.863081 0.641021 0.650645
C 9.339003 -0.689567 0.136357
C -3.932615 1.212582 0.797008
C -6.097011 -0.055555 0.183144
C -3.879306 2.266031 -1.323938
C 4.645660 0.590589 0.203977
C 8.061376 1.136303 1.211373
C 9.270831 0.477336 0.952237
C 3.233367 0.980672 0.221576
C 10.683803 -1.349382 -0.109672
C -6.181607 -0.746923 1.421482
C -7.073866 -0.246150 -0.830433
C -8.208495 -1.791856 0.630088
C 2.844228 2.124136 0.976778
C 2.240392 0.246820 -0.493536
C -7.257571 -1.627568 1.648056
C -8.148703 -1.124723 -0.604244
C 0.516996 1.783556 0.297334
C 1.497740 2.519151 1.013077
C 0.895638 0.638716 -0.459623
C -3.558141 3.080965 -2.518546
H -3.009709 3.177938 0.479433
H 8.017593 2.032759 1.835438
H 10.202201 0.861774 1.379561
H 11.494795 -0.707257 0.268441
H 10.748293 -2.329186 0.396260
H 10.865242 -1.528930 -1.185459
H -5.424107 -0.594915 2.192106
H -6.982190 0.291953 -1.775817
H 3.613131 2.677819 1.522461
H 2.526371 -0.636357 -1.076658
H -7.341946 -2.181744 2.587639
H -8.909302 -1.298145 -1.371435
H 1.174259 3.391775 1.588941
H 0.127619 0.080557 -1.002626
H 6.448742 -3.700548 -2.504424
H -2.231007 4.447847 -3.033118
H -11.602424 -2.198910 1.944389


