%chk=000202776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202776

0 1
S 0.009825 1.128522 -0.547208
O -0.169094 2.203136 0.476506
C -1.383680 -0.064316 -0.330306
C 1.401986 0.065261 0.041110
C -1.682707 -0.274666 1.152423
C -2.584106 0.533375 -1.066542
C 1.796986 -0.860915 -1.108545
C 2.547499 0.993821 0.443589
C -2.930442 -1.150025 1.345457
C -3.826646 -0.354383 -0.886848
C 3.043430 -1.679915 -0.728221
C 3.791683 0.178300 0.827102
C -4.140516 -0.569082 0.600467
C 4.205688 -0.768411 -0.308793
H -1.090260 -1.026928 -0.803637
H 1.088735 -0.533940 0.925625
H -1.835168 0.711724 1.646539
H -0.819116 -0.737615 1.667299
H -2.365964 0.656279 -2.143926
H -2.803867 1.550365 -0.675886
H 2.014194 -0.275313 -2.024714
H 0.969907 -1.549519 -1.366051
H 2.233676 1.639738 1.291111
H 2.801585 1.688755 -0.381478
H -3.159695 -1.238196 2.424032
H -2.728336 -2.177493 0.988505
H -3.667984 -1.330621 -1.382360
H -4.693636 0.110473 -1.392179
H 3.349204 -2.313233 -1.581495
H 2.796660 -2.373931 0.098003
H 3.591436 -0.402503 1.747546
H 4.625506 0.862052 1.072913
H -5.011489 -1.240649 0.710950
H -4.433308 0.394415 1.061956
H 5.069858 -1.381690 0.007153
H 4.550356 -0.177470 -1.179099


%chk=000202776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202776

0 1
S -0.015273 1.207342 -0.632447
O -0.177700 2.298743 0.637745
C -1.479130 -0.107549 -0.330558
C 1.488424 0.042718 -0.106170
C -1.744905 -0.188493 1.176049
C -2.692553 0.389435 -1.134854
C 1.984205 -0.761263 -1.316800
C 2.575732 0.935834 0.501250
C -3.019908 -1.020754 1.476837
C -3.944685 -0.474599 -0.832697
C 3.197962 -1.635974 -0.894826
C 3.777371 0.059223 0.936719
C -4.242696 -0.503772 0.684362
C 4.315821 -0.781995 -0.247533
H -1.066323 -1.046423 -0.747237
H 1.064077 -0.622266 0.670051
H -1.848791 0.846202 1.560273
H -0.877601 -0.629513 1.703871
H -2.470746 0.381798 -2.219053
H -2.904691 1.440139 -0.849895
H 2.296832 -0.064043 -2.120544
H 1.182295 -1.403317 -1.732269
H 2.155535 1.508119 1.347931
H 2.915850 1.675311 -0.252588
H -3.223909 -0.989799 2.564460
H -2.840792 -2.084461 1.214612
H -3.778214 -1.510252 -1.195375
H -4.812189 -0.074077 -1.391638
H 3.588821 -2.178924 -1.776828
H 2.857030 -2.402969 -0.169301
H 3.460736 -0.618149 1.756708
H 4.578481 0.703865 1.345823
H -5.126526 -1.138257 0.889234
H -4.493637 0.521392 1.025749
H 5.140832 -1.437483 0.092390
H 4.742464 -0.100386 -1.012451


