%chk=000236698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236698

0 1
O 5.347007 -0.373848 -0.382022
O -1.069808 2.454404 -0.016616
O -0.291167 1.569063 1.881639
C 1.201201 -0.629294 -0.286474
C -1.164961 0.101780 0.134129
C -2.620868 -0.142113 0.038351
C -0.257963 -0.771576 -0.335765
C 1.948412 -0.895723 -1.455209
C 1.869720 -0.272727 0.894086
C -3.173724 -1.304666 0.598003
C -3.447974 0.782409 -0.619305
C 3.980057 -0.432138 -0.247909
C 3.331478 -0.794067 -1.449895
C 3.262937 -0.174126 0.926451
C -4.547235 -1.540135 0.492625
C -4.818634 0.537582 -0.723118
C -0.782485 1.377453 0.793185
C -5.369983 -0.622761 -0.168581
C 6.128090 -0.005338 0.781292
H -0.607030 -1.690971 -0.827900
H 1.431763 -1.174811 -2.374710
H 1.297534 -0.067392 1.806164
H -2.535799 -2.015810 1.120257
H -3.011443 1.689563 -1.044714
H 3.925050 -0.985126 -2.341133
H 3.760883 0.101879 1.850213
H -4.976913 -2.440545 0.929031
H -5.459331 1.253102 -1.236459
H -6.439139 -0.809926 -0.249761
H 5.994216 -0.742767 1.577815
H 5.866761 1.004654 1.110057
H 7.150752 -0.037313 0.382805
H -0.825304 3.321785 0.406866


%chk=000236698-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236698

0 1
O 5.437133 -1.119080 -0.219650
O -2.222010 2.073084 1.830901
O 0.029736 2.304994 1.411509
C 1.244150 -0.382628 -0.131512
C -1.239670 0.480105 0.323884
C -2.650428 0.073770 0.000413
C -0.217505 -0.309840 -0.196217
C 1.831278 -1.524249 -0.778359
C 2.138911 0.542030 0.488681
C -3.048392 -1.286432 0.115776
C -3.603349 1.013532 -0.478538
C 4.075477 -0.815097 -0.154839
C 3.212226 -1.745655 -0.791497
C 3.530312 0.330726 0.480273
C -4.351214 -1.697220 -0.243433
C -4.902919 0.604253 -0.842710
C -1.035812 1.665398 1.188112
C -5.284621 -0.753518 -0.728429
C 6.377142 -0.191721 0.421508
H -0.620260 -1.124130 -0.818774
H 1.174905 -2.251313 -1.272744
H 1.727864 1.435713 0.961948
H -2.341412 -2.019981 0.520978
H -3.322317 2.067614 -0.568283
H 3.649318 -2.620137 -1.282221
H 4.179058 1.067693 0.963387
H -4.638792 -2.749033 -0.133767
H -5.618624 1.344616 -1.217629
H -6.296466 -1.068561 -1.007019
H 6.181271 -0.111852 1.507765
H 6.326772 0.811837 -0.042151
H 7.370970 -0.630709 0.252863
H -1.996632 2.856294 2.403174


