%chk=000153406.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153406

0 1
 S   7.6600000E-02   1.636900      -1.365100    
 O    2.660000     -6.4999998E-02  -1.192600    
 O  -0.8994000     -0.7554000       2.716500    
 O   -3.185100      0.7314000      -1.406400    
 O   -1.220600      -5.427100     -0.2595000    
 O   0.1838000      -4.774100      -1.915700    
 O   -6.042600       1.019000      0.7429000    
 O   -7.335500       2.270800     -0.6389000    
 N   -1.541400     -0.4506000      0.5051000    
 N   -3.820800       2.280400      0.1995000    
 N    2.205800      -4.544700     -5.6499999E-02
 C   -1.828100      0.9626000      0.5923000    
 C  -0.5937000       1.825500      0.3195000    
 C   0.5603000      -2.905800      0.7195000    
 C  -0.8668000      -2.649100       1.208000    
 C   0.8244000      -4.382200      0.4031000    
 C   -1.096600      -1.195900       1.587300    
 C    1.763600       2.189900      -1.031800    
 C    2.592900       1.091100     -0.3593000    
 C   -3.007100       1.285400     -0.3235000    
 C    4.007500       1.558700     -9.2100002E-02
 C  -6.8899997E-02  -4.873700     -0.7214000    
 C    4.998900       1.366600      -1.054400    
 C    4.319800       2.182000       1.116100    
 C   -4.986800       2.777200     -0.4930000    
 C    6.302600       1.797700     -0.8085000    
 C    5.623500       2.613200       1.361900    
 C    6.614800       2.420900      0.3995000    
 C   -6.240900       2.014100     -0.1526000    
 H   -2.142800       1.158900       1.625900    
 H  -0.8473000       2.883400      0.4492000    
 H   0.1753000       1.579400       1.057200    
 H    1.267800      -2.556300       1.483000    
 H   0.7415000      -2.290100     -0.1719000    
 H   -1.601900      -2.933700      0.4472000    
 H   -1.078000      -3.257900       2.095200    
 H   -1.639500     -0.9004000     -0.4008000    
 H   0.6733000      -5.008400       1.289400    
 H    2.203100       2.442600      -2.003800    
 H    1.744900       3.109200     -0.4363000    
 H    2.152200      0.7673000      0.5901000    
 H   -3.602600       2.682900       1.106200    
 H    2.846400      -4.218700      0.6664000    
 H    2.407800      -5.535500     -0.1873000    
 H    4.780900      0.8972000      -2.009600    
 H    3.555300       2.339000       1.872300    
 H   -4.821200       2.712500      -1.572500    
 H   -5.121000       3.820300     -0.1937000    
 H    1.746200     -0.3396000      -1.380900    
 H    7.073900       1.651300      -1.558900    
 H    5.866600       3.099300       2.302200    
 H    7.629500       2.757500      0.5906000    
 H   -1.799400      -5.730400     -0.9912000    
 H   -6.872900      0.5385000      0.9479000    


%chk=000153406-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153406

0 1
S -0.471769 2.579180 -0.560049
O 1.591721 0.343739 -1.378010
O -0.373609 -0.352471 2.888661
O -3.106810 -0.122973 -1.134930
O 0.603104 -5.244919 1.173054
O 1.536659 -6.045770 -0.790504
O -5.669270 3.788323 0.141285
O -6.900664 3.407720 -1.798052
N -1.286064 -0.472280 0.766832
N -4.076808 1.736148 -0.151517
N 1.985475 -3.502414 -1.741849
C -2.111668 0.715967 0.960131
C -1.288798 2.031687 1.064186
C 0.465528 -2.599206 -0.023047
C 0.301371 -2.246335 1.472223
C 1.605598 -3.612745 -0.336151
C -0.471830 -0.960100 1.769923
C 1.374557 2.463713 -0.120496
C 1.897177 1.006519 -0.103043
C -3.137880 0.736618 -0.198662
C 3.403090 0.982179 0.117388
C 1.253863 -5.073341 -0.057387
C 4.298791 1.059064 -0.977619
C 3.919017 0.929754 1.436345
C -5.071360 1.874154 -1.217800
C 5.693248 1.087096 -0.753410
C 5.314010 0.964138 1.660178
C 6.205328 1.044811 0.564988
C -5.981052 3.074390 -1.028591
H -2.649699 0.624435 1.928913
H -1.932900 2.868547 1.385942
H -0.504108 1.888184 1.824071
H 0.743035 -1.686642 -0.584205
H -0.475054 -2.983108 -0.461554
H -0.182473 -3.075231 2.020501
H 1.294041 -2.118149 1.945628
H -1.438774 -0.972337 -0.117635
H 2.441388 -3.387719 0.380871
H 1.874801 3.043419 -0.915470
H 1.536439 2.964802 0.848151
H 1.399191 0.470540 0.730311
H -4.097681 2.426198 0.602765
H 2.354209 -2.592541 -2.022080
H 2.440252 -4.321808 -2.148046
H 3.891835 1.068428 -1.993681
H 3.230954 0.850308 2.288117
H -5.705963 0.969329 -1.288333
H -4.578046 1.964354 -2.204794
H 0.655914 0.598998 -1.618825
H 6.381096 1.138155 -1.605168
H 5.703843 0.919374 2.683267
H 7.287420 1.066037 0.736689
H 0.444628 -6.217438 1.318234
H -6.277002 4.569322 0.238052


