%chk=000239920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239920

0 1
S 0.505235 -1.649715 0.594820
S 1.068865 1.123114 -0.519977
O 1.538629 -1.203486 1.508364
O -0.664111 -2.330718 1.096983
O 2.069738 0.353472 -1.228929
O 0.317640 2.151306 -1.196075
O -1.173257 -1.260291 -2.293892
O -2.509772 0.511131 -2.528665
O -7.649085 1.035210 1.092078
N -0.056631 -0.120553 -0.043608
C -1.501343 0.018108 -0.294898
C -2.073728 1.354302 0.222972
C 1.172604 -2.464673 -0.785882
C 1.679975 1.711900 1.004220
C -3.552176 1.248472 0.473830
C -1.807395 -0.133581 -1.795320
C 1.711258 -3.813099 -0.430915
C 2.738318 2.750228 0.797213
C -4.026559 0.818904 1.720690
C -4.464971 1.587805 -0.543463
C 0.842512 -4.822640 0.015852
C 2.409978 3.980058 0.203251
C 3.082350 -4.079050 -0.562740
C 4.054670 2.504166 1.214390
C -5.398798 0.732342 1.970237
C -5.835220 1.511503 -0.320700
C -6.283135 1.084185 0.941917
C 1.346809 -6.087409 0.324572
C 3.395359 4.954554 0.033376
C 3.578438 -5.348645 -0.251910
C 5.034733 3.486031 1.040739
C 2.713840 -6.354232 0.189830
C 4.707940 4.711509 0.453128
H -2.053685 -0.832619 0.226509
H -1.855281 2.175639 -0.504695
H -1.553814 1.649566 1.156707
H 0.418305 -2.563255 -1.611279
H 1.962731 -1.832588 -1.287104
H 0.878790 2.125780 1.657060
H 2.077035 0.860545 1.633766
H -3.324407 0.543997 2.508349
H -4.088031 1.899712 -1.524113
H -0.224255 -4.618082 0.136577
H 1.391045 4.172372 -0.141543
H 3.762842 -3.299077 -0.902626
H 4.317758 1.549132 1.668325
H -5.762987 0.398849 2.935750
H -6.557925 1.769065 -1.092026
H -1.355790 -1.396495 -3.262800
H 0.671266 -6.867792 0.673697
H 3.139187 5.906547 -0.430920
H 4.643788 -5.551863 -0.354081
H 6.056784 3.291764 1.364013
H 3.102808 -7.341621 0.431155
H 5.473028 5.473965 0.318879
H -7.913501 0.724352 1.991608


%chk=000239920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239920

0 1
S -0.068922 -1.451561 0.738838
S 0.631378 1.357682 -0.719353
O 1.086194 -1.107710 1.831718
O -1.447850 -2.184934 1.220185
O 1.629680 0.332941 -1.508554
O -0.174736 2.484888 -1.581413
O -1.375163 -0.583418 -2.315594
O -3.073240 0.996856 -2.465542
O -8.536328 0.513841 0.976818
N -0.724646 0.395182 0.291292
C -2.111760 0.417035 -0.241154
C -2.904214 1.615059 0.375997
C 0.731546 -2.592298 -0.891899
C 1.585437 2.176096 0.927959
C -4.388844 1.316057 0.534211
C -2.262731 0.362299 -1.769610
C 2.030003 -3.140946 -0.495654
C 3.048696 2.088898 0.774901
C -4.838875 0.497434 1.601969
C -5.353091 1.836334 -0.368064
C 2.118409 -4.420794 0.128580
C 3.786912 3.166298 0.208076
C 3.223714 -2.399745 -0.744422
C 3.735470 0.918900 1.209141
C -6.209414 0.209722 1.774761
C -6.725973 1.564594 -0.205926
C -7.152925 0.749764 0.867200
C 3.372576 -4.957195 0.475716
C 5.188706 3.083666 0.093025
C 4.475437 -2.942607 -0.394641
C 5.138199 0.842787 1.092657
C 4.553671 -4.219675 0.212690
C 5.866761 1.922345 0.537708
H -2.552512 -0.528231 0.160558
H -2.737033 2.506226 -0.252607
H -2.449297 1.801854 1.364971
H -0.117727 -3.287355 -0.959163
H 0.735880 -1.788244 -1.638672
H 1.136901 3.180049 0.891294
H 1.140428 1.519448 1.689050
H -4.112536 0.081209 2.311293
H -5.018343 2.446783 -1.212819
H 1.201472 -4.986004 0.334453
H 3.259035 4.064056 -0.135699
H 3.146728 -1.406361 -1.201389
H 3.160383 0.083779 1.627578
H -6.538601 -0.423473 2.609312
H -7.473391 1.966021 -0.896489
H -1.456716 -0.576819 -3.307479
H 3.436548 -5.942579 0.949204
H 5.753498 3.917106 -0.337993
H 5.390137 -2.374879 -0.597422
H 5.663939 -0.054118 1.438269
H 5.529613 -4.639326 0.481780
H 6.957539 1.860971 0.451591
H -8.731623 -0.069806 1.751463


