%chk=000105810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105810

0 1
 S    4.521300      -1.869700      0.2370000    
 S    1.185500       1.737500      -2.065400    
 S   -7.465100      -2.285600     -0.5944000    
 S    8.155300      9.5700003E-02  1.3800000E-02
 O    4.363400      -3.216300      0.7675000    
 O    5.234500      -1.665800      -1.016600    
 O    7.522800      -1.326000      0.5137000    
 O   0.9757000       3.083900      -1.163800    
 O    2.420500       1.912600      -2.813300    
 O  -6.4499997E-02   1.448900      -2.748200    
 O   -8.047700      -2.842000      0.8282000    
 O   -8.479100      -1.402700      -1.152200    
 O   -6.971200      -3.422300      -1.355700    
 O    9.221700     -0.3442000      -1.139600    
 O    7.093400      0.8423000     -0.6348000    
 O    8.901000      0.6901000       1.107600    
 N  -0.8868000      0.5535000     -0.1815000    
 N   -1.451200      0.4826000      0.9325000    
 N   -1.784000       3.211800       1.449600    
 C    2.934300      -1.153000      0.1078000    
 C    5.349200     -0.8901000       1.469200    
 C    1.438200      0.4491000     -0.9076000    
 C    2.705900     -0.1237000     -0.8053000    
 C   -3.844200      0.2488000      0.5061000    
 C   -5.125900      0.8436000      0.4271000    
 C    1.895300      -1.609300      0.9188000    
 C   0.3992000     -7.1999999E-03 -9.6500002E-02
 C    6.764000      -1.377100       1.715000    
 C   -2.737800       1.044000      0.8471000    
 C   0.6276000      -1.036400      0.8168000    
 C   -2.893100       2.405900       1.106500    
 C   -6.232200      4.8300002E-02  8.6400002E-02
 C   -6.077000      -1.313700     -0.1726000    
 C   -3.706400      -1.123600      0.2421000    
 C   -5.263700       2.216000      0.6916000    
 C   -4.153600       2.990900       1.028900    
 C   -4.816500      -1.898600     -9.4899997E-02
 C   -1.708600       4.601900       1.128800    
 H    4.763900     -0.9592000       2.391400    
 H    5.335000      0.1458000       1.120900    
 H    3.525200      0.2300000      -1.423900    
 H    2.051500      -2.408200       1.638300    
 H    6.756100      -2.419900       2.048700    
 H    7.249000     -0.7880000       2.500300    
 H  -0.1554000      -1.440500       1.453600    
 H   -7.218600      0.5049000      3.3300001E-02
 H   -2.741800      -1.622200      0.2975000    
 H   -6.239900       2.693800      0.6389000    
 H   -4.311700       4.045800       1.233700    
 H   -4.673000      -2.958900     -0.2835000    
 H  -0.9115000       2.717700       1.608100    
 H   -1.923400       4.783100      7.0400000E-02
 H  -0.6964000       4.969800       1.326100    
 H   -2.392000       5.195400       1.744000    
 H   0.1901000       3.075600     -0.5679000    
 H   -7.428700      -3.408900       1.345900    
 H    9.825100      -1.084800     -0.8953000    


%chk=000105810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105810

0 1
S 4.876865 -1.550967 0.792370
S 0.057680 -1.317638 -2.159316
S -7.427901 -1.123788 -2.161425
S 9.430089 -0.429789 -0.741459
O 5.212984 -1.470377 2.399890
O 5.031565 -2.918585 -0.078531
O 8.241179 -0.851779 0.659012
O -0.631300 0.326412 -2.590929
O 1.112161 -1.710980 -3.308597
O -1.158097 -2.314141 -1.771653
O -7.778296 -2.515798 -0.981466
O -8.666010 -0.082275 -2.135823
O -6.911487 -1.762420 -3.553887
O 10.656526 -1.547095 -0.031407
O 8.945625 -0.995828 -2.156576
O 9.860525 1.109057 -0.589274
N -0.942521 0.245476 0.200851
N -1.478024 1.009827 1.143372
N -2.163575 2.954840 2.778198
C 3.086596 -0.949814 0.613602
C 5.969671 -0.119026 -0.040933
C 1.052568 -0.853553 -0.609932
C 2.382801 -1.282522 -0.555971
C -3.875551 0.712689 0.287713
C -5.219866 1.240271 0.408367
C 2.506159 -0.274105 1.703316
C 0.410035 -0.125554 0.428904
C 7.167477 0.134829 0.860528
C -2.820528 1.331617 1.091406
C 1.164687 0.137408 1.610165
C -3.158332 2.402222 2.025092
C -6.287487 0.668183 -0.339994
C -6.008622 -0.410549 -1.172637
C -3.666689 -0.413819 -0.571356
C -5.495648 2.326653 1.314560
C -4.511342 2.882183 2.112389
C -4.725918 -0.982187 -1.298340
C -2.336561 4.010426 3.778274
H 5.286197 0.743548 -0.097401
H 6.204309 -0.524862 -1.036988
H 2.835541 -1.856417 -1.373217
H 3.096779 -0.111056 2.611592
H 6.884469 -0.011602 1.924469
H 7.555306 1.165276 0.730833
H 0.672843 0.649088 2.441200
H -7.304568 1.068269 -0.265171
H -2.681921 -0.873270 -0.661819
H -6.522174 2.706424 1.372887
H -4.753957 3.694789 2.801612
H -4.547458 -1.838914 -1.954920
H -1.240534 2.533296 2.617677
H -2.710683 4.945895 3.321130
H -1.360653 4.225321 4.240392
H -3.036568 3.707009 4.579685
H -1.124762 0.564555 -1.731368
H -8.410838 -3.145001 -1.436707
H 10.260934 -1.860452 0.837817


