%chk=000237974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237974

0 1
S -5.218722 -0.914250 -0.323205
O 1.717524 1.301927 -0.192636
O 2.972839 -4.397427 0.336656
O 5.215333 -3.763231 -1.097161
O 5.813886 -1.118487 -1.647642
O 1.139147 0.381418 1.808537
O -5.009209 0.458292 -1.349641
O 2.753659 3.702709 0.661427
O -6.030117 -1.776471 -1.149036
O -5.749686 -0.334866 0.878802
O 1.182298 5.920191 0.830031
O -3.181038 1.970760 -0.448816
O -3.549997 4.164198 -0.741383
N 0.153222 -3.123074 0.535176
C 2.395582 -2.107612 0.580997
C 1.211197 -2.561916 1.400464
C 2.680534 -0.762829 0.295755
C 3.277669 -3.088763 0.076486
C -1.059704 -2.513264 0.281482
C 3.808224 -0.381394 -0.445004
C 4.421568 -2.730541 -0.666850
C 4.677269 -1.366520 -0.919017
C 1.769541 0.310187 0.785228
C -1.456665 -1.300149 0.905556
C -1.963895 -3.168612 -0.610120
C -3.643951 -1.475971 -0.141777
C -2.729016 -0.800210 0.689794
C -3.229647 -2.649669 -0.802755
C 0.866066 2.393244 0.016046
C 1.420397 3.627712 0.395019
C -0.501216 2.255313 -0.251757
C -1.324729 3.379681 -0.168825
C 0.549968 4.751262 0.466070
C -0.808321 4.638867 0.186896
C -2.775983 3.270090 -0.480480
H 0.811545 -1.736746 2.045369
H 1.543090 -3.366221 2.109016
H 0.426533 -3.950220 0.005441
H 3.987510 0.676806 -0.653493
H -0.769037 -0.769346 1.568508
H -1.662664 -4.076554 -1.124594
H -3.027785 0.141147 1.172799
H -3.928897 -3.163357 -1.476115
H 3.689229 -5.006688 -0.017081
H -0.913637 1.276408 -0.523451
H 5.999443 -3.407366 -1.610780
H -1.475478 5.502928 0.234061
H 5.935739 -0.146895 -1.819539
H -5.726114 0.621949 -1.976344
H 3.002808 4.638316 0.934998
H 0.541923 6.674448 0.898976
H -4.162336 1.842597 -0.745187


%chk=000237974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237974

0 1
S -5.475446 -0.945503 -0.209293
O 2.083567 1.528766 0.018961
O 2.951002 -4.450983 0.211633
O 5.243543 -3.811818 -1.144251
O 5.965069 -1.210787 -1.615652
O 1.026654 0.313852 1.716940
O -5.105891 0.656188 -1.258315
O 2.784005 4.141719 0.839125
O -6.338863 -1.926079 -1.159605
O -6.085249 -0.374346 1.176795
O 0.999876 6.141466 0.816066
O -2.773009 1.687661 -1.061653
O -3.541585 3.853554 -0.675510
N 0.129187 -3.063171 0.437809
C 2.432396 -2.110774 0.588577
C 1.201163 -2.611157 1.348236
C 2.760996 -0.742992 0.330669
C 3.289074 -3.099387 0.047154
C -1.140655 -2.531611 0.301620
C 3.925920 -0.395737 -0.409735
C 4.455796 -2.759505 -0.668145
C 4.774851 -1.402568 -0.887717
C 1.873424 0.358860 0.797073
C -1.612916 -1.428387 1.088595
C -2.032803 -3.118020 -0.661382
C -3.761714 -1.564615 -0.018144
C -2.919544 -0.949050 0.931362
C -3.333524 -2.632385 -0.836658
C 1.094201 2.555029 0.076658
C 1.479598 3.857607 0.451003
C -0.225614 2.273358 -0.313376
C -1.193944 3.299995 -0.322888
C 0.489960 4.882923 0.422825
C -0.833732 4.621584 0.047397
C -2.610394 3.001594 -0.699960
H 0.823716 -1.827296 2.013316
H 1.512097 -3.471926 1.968064
H 0.371424 -3.869838 -0.141990
H 4.134951 0.661547 -0.596073
H -0.955504 -0.924707 1.800513
H -1.686490 -3.958998 -1.273462
H -3.277036 -0.112602 1.539115
H -4.011507 -3.076545 -1.572021
H 3.663231 -5.019684 -0.183505
H -0.521026 1.263513 -0.606198
H 6.031385 -3.451818 -1.627937
H -1.606269 5.399594 0.033535
H 6.156677 -0.255621 -1.774219
H -5.928870 1.217514 -1.262270
H 2.833485 5.107160 1.075535
H 0.302454 6.839184 0.820424
H -3.752219 1.377039 -1.202144


