%chk=000211951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211951

0 1
S -5.015705 -0.606685 1.095356
S 4.555268 0.083444 1.855989
O -5.450604 -1.243819 2.320925
O -5.816492 0.420323 0.468119
O 5.830512 0.175631 2.537723
O 3.343772 -0.204091 2.588708
N -0.198336 3.395747 -1.547736
N -3.485490 0.052203 1.517685
N 4.409010 1.621468 1.099620
C -0.552532 1.819203 0.121863
C 0.871393 2.100526 0.057375
C -1.186766 2.642431 -0.871372
C 1.055214 3.090084 -0.969600
C -1.318728 0.965571 0.913204
C 1.967089 1.616214 0.769832
C -2.709927 0.938527 0.714366
C 3.239344 2.106377 0.444266
C -2.575163 2.615973 -1.060079
C 2.326827 3.596046 -1.273357
C -3.327529 1.767782 -0.258356
C 3.410285 3.096921 -0.563059
C -4.627201 -1.812621 -0.079125
C 4.686068 -1.009161 0.524943
C -4.489082 -3.146225 0.320302
C 5.947212 -1.476566 0.139037
C -4.462162 -1.461206 -1.422470
C 3.541512 -1.431950 -0.158131
C -4.178199 -4.129324 -0.623416
C 6.065217 -2.362821 -0.935055
C -4.150265 -2.443136 -2.367691
C 3.658052 -2.317459 -1.234073
C -4.007640 -3.776024 -1.966683
C 4.919734 -2.781086 -1.621872
H -0.371293 4.112760 -2.222272
H -0.838395 0.343704 1.665468
H 1.811638 0.898391 1.583105
H -3.054219 3.250163 -1.801026
H 2.461707 4.353220 -2.040306
H -4.420952 1.772703 -0.360816
H 4.410112 3.467975 -0.782810
H -3.098033 -0.142754 2.449799
H 5.177041 2.297140 1.186876
H -4.632906 -3.423866 1.371326
H 6.843334 -1.154527 0.683000
H -4.582611 -0.420161 -1.740698
H 2.550765 -1.077318 0.146528
H -4.071872 -5.167865 -0.313112
H 7.046454 -2.728035 -1.234833
H -4.021185 -2.169917 -3.413925
H 2.766763 -2.644886 -1.767527
H -3.765228 -4.542685 -2.703846
H 5.011093 -3.472039 -2.461067


%chk=000211951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211951

0 1
S -5.496782 -0.280177 0.478617
S 3.823109 -1.093091 1.579546
O -6.557724 -0.772103 1.607405
O -5.945564 0.343254 -0.954897
O 4.957267 -1.567410 2.644810
O 2.286405 -1.630526 1.614654
N -0.141131 3.328186 -1.497623
N -4.455165 1.181916 1.378728
N 3.663891 0.915447 1.836651
C -0.987501 2.013651 0.196394
C 0.471543 1.980209 0.269157
C -1.331071 2.860154 -0.914892
C 0.960937 2.809771 -0.803662
C -2.010655 1.400923 0.944786
C 1.380899 1.355021 1.139701
C -3.367497 1.681038 0.617251
C 2.776941 1.534699 0.922296
C -2.673118 3.115875 -1.274369
C 2.342076 3.003120 -1.027175
C -3.684629 2.530292 -0.495397
C 3.240663 2.338021 -0.174602
C -4.315414 -1.722569 0.118859
C 4.493478 -1.450281 -0.162826
C -4.181162 -2.721064 1.099077
C 5.879968 -1.632620 -0.305120
C -3.625466 -1.724227 -1.104988
C 3.579314 -1.517199 -1.228165
C -3.288002 -3.783968 0.831010
C 6.376271 -1.894808 -1.603149
C -2.735848 -2.796162 -1.351285
C 4.097689 -1.775367 -2.519011
C -2.565168 -3.816039 -0.385610
C 5.488627 -1.959640 -2.704114
H -0.089782 3.956575 -2.296805
H -1.770901 0.728725 1.777569
H 1.055752 0.740339 1.983033
H -2.929266 3.762703 -2.119723
H 2.709368 3.636793 -1.840972
H -4.739728 2.717069 -0.712049
H 4.320669 2.447290 -0.334108
H -4.168253 0.723157 2.265794
H 4.652351 1.218051 1.724025
H -4.774972 -2.682401 2.018434
H 6.535089 -1.603304 0.572087
H -3.798711 -0.932580 -1.840909
H 2.506172 -1.397640 -1.048400
H -3.160162 -4.583195 1.568286
H 7.449394 -2.055203 -1.750610
H -2.182070 -2.833125 -2.295152
H 3.415500 -1.838058 -3.373271
H -1.871784 -4.640699 -0.582118
H 5.881053 -2.164522 -3.706065


