%chk=000231714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231714

0 1
O -0.191094 1.193298 -1.933799
O -4.585998 -2.120802 -0.466716
O -1.840356 2.525476 -2.763723
O 5.412819 -1.442182 0.565621
O -4.904071 -3.798986 1.055375
O 6.011142 -1.365650 -1.641408
C 0.126724 0.528068 0.610340
C -0.765855 1.143548 -0.648323
C -1.004269 -0.477106 0.745596
C -0.139112 1.871658 1.273944
C -1.762766 0.039310 -0.363406
C -0.887843 2.405258 0.171800
C 1.515614 0.025728 0.534409
C -1.430024 -1.550049 1.478048
C -2.948639 -0.500111 -0.761762
C 0.089922 2.599779 2.408876
C -1.415320 3.666221 0.181258
C 2.169374 -0.124671 -0.695376
C 2.180448 -0.315634 1.728235
C -3.371035 -1.624319 0.015123
C -2.662112 -2.142542 1.089088
C -0.451327 3.914848 2.425937
C -1.173994 4.428951 1.356165
C -0.811140 1.928873 -2.941525
C 3.479809 -0.608974 -0.753346
C 3.484591 -0.799841 1.695438
C 4.112739 -0.937611 0.445157
C 0.025300 1.805866 -4.164868
C -5.285840 -3.188189 0.093815
C -6.516045 -3.367843 -0.723579
C 6.288493 -1.626239 -0.501507
C 7.548193 -2.177841 0.067880
H -0.869841 -1.955254 2.316689
H -3.549387 -0.135006 -1.589595
H 0.653335 2.220299 3.254659
H -1.984140 4.069337 -0.655274
H 1.650826 0.140439 -1.622190
H 1.669332 -0.199655 2.683958
H -3.036098 -3.005931 1.646678
H -0.286718 4.529759 3.310511
H -1.571538 5.441730 1.408448
H 3.987721 -0.722917 -1.713893
H 4.017878 -1.069953 2.603820
H -0.571152 1.425114 -5.009650
H 0.424660 2.789029 -4.463796
H 0.884301 1.127950 -4.027637
H -7.417837 -3.244946 -0.101597
H -6.552306 -4.381110 -1.155749
H -6.583343 -2.645998 -1.555331
H 7.781757 -3.157190 -0.380584
H 8.397702 -1.509167 -0.146432
H 7.496720 -2.313925 1.161299


%chk=000231714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231714

0 1
O 0.006016 1.411503 -1.788310
O -4.647450 -2.024651 -0.758116
O -1.965879 2.285955 -2.679330
O 5.709538 -1.013964 0.185765
O -5.088566 -3.885583 0.624972
O 5.653558 -3.249681 -0.564247
C 0.169775 0.480871 0.718453
C -0.672398 1.197966 -0.516568
C -0.981884 -0.562573 0.695234
C -0.193516 1.769511 1.508642
C -1.679102 0.045755 -0.377623
C -0.886854 2.384208 0.437295
C 1.602962 0.042038 0.596975
C -1.489889 -1.690781 1.348625
C -2.901980 -0.423746 -0.857293
C -0.100926 2.365729 2.772851
C -1.527303 3.623301 0.557241
C 1.933286 -1.263697 0.154360
C 2.665418 0.940319 0.886208
C -3.401758 -1.585330 -0.204997
C -2.726001 -2.215534 0.874473
C -0.728039 3.637891 2.908544
C -1.420007 4.250753 1.830931
C -0.763226 1.973922 -2.822463
C 3.271991 -1.682325 -0.006930
C 4.006449 0.545505 0.732934
C 4.304593 -0.761697 0.287411
C 0.073054 2.123380 -4.072101
C -5.407416 -3.128992 -0.314417
C -6.654143 -3.230394 -1.164761
C 6.291911 -2.231267 -0.230184
C 7.797342 -2.084724 -0.198913
H -0.977617 -2.177587 2.184607
H -3.457859 0.042661 -1.673947
H 0.423940 1.902434 3.614807
H -2.074101 4.087646 -0.268836
H 1.129842 -1.972863 -0.071861
H 2.438509 1.954304 1.231569
H -3.162036 -3.101123 1.337828
H -0.679552 4.160208 3.871140
H -1.888180 5.228903 1.990363
H 3.506728 -2.690697 -0.347777
H 4.831345 1.229617 0.953600
H -0.528248 2.582152 -4.869714
H 0.959675 2.746167 -3.862552
H 0.439708 1.135279 -4.400245
H -7.245542 -2.302080 -1.083386
H -7.256882 -4.087811 -0.833114
H -6.380997 -3.352215 -2.227155
H 8.134073 -1.837200 0.822715
H 8.264999 -3.023477 -0.528213
H 8.112841 -1.257087 -0.857387


