%chk=000269837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269837

0 1
S 4.197607 1.456387 -0.658869
O -1.710188 -0.044774 1.425137
O 4.650325 2.709957 -0.070704
O 4.620353 1.092723 -2.003937
C -2.437502 0.184433 0.197391
C -1.841374 1.427541 -0.512375
C -2.244086 -1.084619 -0.621117
C -3.909140 0.377805 0.559230
C -0.338465 1.420576 -0.541223
C 0.384116 2.252707 0.330287
C 0.349905 0.607966 -1.457045
C -2.996598 -1.288549 -1.786979
C -4.406165 -0.287586 1.690292
C -1.307926 -2.047009 -0.219449
C -4.771484 1.167895 -0.211090
C 2.462555 1.438346 -0.611548
C 1.779879 2.260396 0.288570
C 1.744726 0.622332 -1.491139
C -2.806654 -2.445647 -2.546649
C -5.747248 -0.151654 2.055058
C -1.123683 -3.204421 -0.981134
C -6.114721 1.301643 0.155730
C 4.656177 0.163805 0.413988
C -1.870130 -3.404573 -2.146097
C -6.604201 0.645348 1.288691
C 4.848677 -1.124582 -0.090552
C 4.854583 0.422951 1.772249
C 5.214524 -2.164763 0.769755
C 5.220406 -0.614668 2.635713
C 5.396575 -1.908563 2.133201
H -2.215379 2.348921 -0.018823
H -2.231970 1.479740 -1.551828
H -0.136711 2.897867 1.033615
H -0.205544 -0.041671 -2.134265
H -1.660160 0.775720 1.955050
H -3.738857 -0.555389 -2.098395
H -3.732775 -0.915868 2.279393
H -0.726679 -1.884815 0.692656
H -4.412167 1.681947 -1.100507
H 2.339233 2.925061 0.956619
H 2.275144 0.000363 -2.220247
H -3.392861 -2.602432 -3.450468
H -6.125968 -0.670422 2.934436
H -0.397632 -3.950891 -0.663776
H -6.780661 1.918423 -0.445628
H -1.725682 -4.305790 -2.738989
H -7.649948 0.751301 1.572057
H 4.727902 -1.319811 -1.161411
H 4.738492 1.439977 2.161109
H 5.363623 -3.169205 0.377743
H 5.373799 -0.414044 3.694509
H 5.681856 -2.718486 2.805164


%chk=000269837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269837

0 1
S 4.214047 1.538519 -0.613844
O -2.137492 0.550507 1.781076
O 4.702326 2.767711 0.354352
O 4.643319 1.407517 -2.190216
C -2.633411 0.424506 0.382956
C -1.993288 1.572223 -0.479292
C -2.151841 -0.945217 -0.124015
C -4.174187 0.506766 0.415724
C -0.475397 1.557312 -0.503803
C 0.273463 2.159993 0.540351
C 0.218692 0.953494 -1.585021
C -2.706054 -1.490205 -1.309454
C -4.863060 -0.400575 1.266641
C -1.122051 -1.648714 0.543924
C -4.930571 1.444717 -0.329274
C 2.320804 1.516250 -0.554500
C 1.685299 2.147892 0.525078
C 1.629677 0.929860 -1.624855
C -2.233793 -2.717845 -1.822974
C -6.268027 -0.366868 1.372562
C -0.653598 -2.880702 0.032991
C -6.341353 1.478509 -0.225379
C 4.774554 -0.070360 0.230965
C -1.203431 -3.418412 -1.152816
C -7.015026 0.575775 0.625258
C 4.989986 -1.196075 -0.578816
C 5.013441 -0.040410 1.613533
C 5.443528 -2.378910 0.050937
C 5.466413 -1.232657 2.225836
C 5.673642 -2.396420 1.447340
H -2.354573 2.537445 -0.074046
H -2.377109 1.479587 -1.512006
H -0.250903 2.641239 1.371727
H -0.349214 0.495346 -2.402358
H -2.674653 1.252725 2.228954
H -3.521377 -0.965369 -1.822558
H -4.281935 -1.133354 1.837091
H -0.702226 -1.226911 1.460716
H -4.435653 2.157590 -0.996251
H 2.278320 2.637842 1.304381
H 2.177656 0.497934 -2.468443
H -2.674326 -3.131323 -2.737372
H -6.782115 -1.074467 2.032572
H 0.144053 -3.416853 0.559671
H -6.910683 2.210323 -0.809366
H -0.838929 -4.373223 -1.548397
H -8.107418 0.602977 0.704686
H 4.836545 -1.134977 -1.661433
H 4.877627 0.887878 2.178435
H 5.624725 -3.277476 -0.548178
H 5.665005 -1.248316 3.302618
H 6.028471 -3.314901 1.927692


