%chk=000134037.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134037

0 1
 S   -1.894800      -2.912000       1.588400    
 O   -1.819900      0.7773000       1.355300    
 O   0.5626000       1.053300      -1.278500    
 O    5.075200     -0.7507000       1.256600    
 O    6.020000     -0.1620000     -0.7188000    
 O   -3.855500       2.316000      -1.153000    
 O   -5.545300       2.973700      0.2106000    
 N   5.8200002E-02 -0.7044000      0.1542000    
 N   -3.518800     -8.8000000E-03 -1.1700000E-02
 N    5.354900       2.463900     -0.2091000    
 C   -1.293400     -0.9254000     -0.2960000    
 C   -1.750700      -2.395400     -0.1693000    
 C  -0.8155000      -3.341200     -0.9477000    
 C    2.252100      0.2792000      0.2736000    
 C    3.173600       1.355300     -0.3040000    
 C   -2.209500      4.9699999E-02  0.4441000    
 C   0.8813000      0.2776000     -0.3814000    
 C    4.534300       1.413900      0.3993000    
 C   -1.220800      -4.809400     -0.8771000    
 C   -4.567500      0.8019000      0.5597000    
 C    5.298300      0.1129000      0.2317000    
 C   -4.718800       2.134800     -0.1269000    
 H   -1.336400     -0.6436000      -1.357100    
 H   -2.758000      -2.501400     -0.5872000    
 H   0.2188000      -3.252100     -0.5937000    
 H  -0.8100000      -3.036300      -2.001900    
 H   0.3960000      -1.248200      0.9427000    
 H    2.683200     -0.7173000      0.1267000    
 H    2.117700      0.4394000       1.349900    
 H    2.681600       2.333900     -0.2249000    
 H    3.309900       1.161500      -1.377000    
 H    4.419100       1.636500       1.465400    
 H   -2.271600      -4.942300      -1.153300    
 H  -0.6145000      -5.393500      -1.577700    
 H   -1.061700      -5.235900      0.1173000    
 H  -0.5869000      -2.864900       1.878600    
 H   -3.752500     -0.5937000     -0.8079000    
 H   -4.356300      0.9766000       1.618800    
 H   -5.502200      0.2452000      0.4490000    
 H    6.276400       2.480600      0.2260000    
 H    5.501500       2.267300      -1.198500    
 H    5.560700      -1.594400       1.135800    
 H   -3.974100       3.189600      -1.583100    


%chk=000134037-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000134037

0 1
S -1.667580 -2.778819 1.080272
O -1.837239 0.810840 1.826991
O 1.024939 0.272197 -1.896020
O 6.005482 1.303151 2.055226
O 4.724978 -0.637861 2.050980
O -6.016318 0.248856 -0.562178
O -7.011784 1.232969 1.298034
N 0.078569 -0.072681 0.202805
N -3.563053 0.418644 0.334788
N 6.133167 0.142763 -0.817045
C -1.276370 -0.293773 -0.307936
C -1.612852 -1.799290 -0.560666
C -0.679350 -2.453222 -1.600750
C 2.416606 0.700512 0.089363
C 3.666140 0.120977 -0.610030
C -2.245009 0.356972 0.711250
C 1.129872 0.283835 -0.629932
C 4.986135 0.688060 -0.059667
C -1.158117 -3.843160 -2.061879
C -4.571832 0.947877 1.253967
C 5.164581 0.360522 1.434996
C -5.985020 0.844361 0.711037
H -1.351791 0.219355 -1.290388
H -2.661855 -1.874675 -0.909337
H 0.341081 -2.519097 -1.177956
H -0.597324 -1.768131 -2.467689
H 0.116486 0.152437 1.206328
H 2.388236 0.394784 1.151118
H 2.462553 1.808788 0.061556
H 3.619082 0.347406 -1.688636
H 3.667404 -0.981066 -0.497639
H 4.998429 1.787196 -0.169114
H -2.150401 -3.783861 -2.549133
H -0.450303 -4.274288 -2.792585
H -1.240272 -4.537534 -1.206882
H -0.344477 -2.523330 1.406744
H -3.887633 0.059992 -0.565503
H -4.373861 2.010766 1.493761
H -4.531723 0.415470 2.224060
H 7.034512 0.580088 -0.603235
H 6.176174 -0.881539 -0.829438
H 6.174028 1.027739 2.997738
H -6.953589 0.192969 -0.889477


