%chk=000247023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247023

0 1
O -0.566164 -0.006989 2.790438
O 4.217171 -1.472889 -0.391880
O -5.115049 -1.471057 1.325252
O 5.934387 -0.416436 -1.414257
C 1.290670 1.288355 1.023061
C 0.098325 0.429345 0.503341
C -0.717298 1.205286 -0.576563
C -1.856582 0.288794 -1.026686
C 2.184528 1.732708 -0.182188
C -2.834771 0.011381 0.171770
C 0.180894 1.615486 -1.753518
C 1.363654 2.457598 -1.265401
C 2.170131 0.488783 2.022123
C -2.070677 -0.858020 1.172470
C -0.813586 -0.114566 1.609727
C 2.952115 0.556301 -0.815672
C -2.813612 0.678911 -2.175526
C 0.766692 2.532071 1.765070
C 2.904230 -0.696312 1.396979
C 3.760130 -0.211348 0.228085
C -4.025244 -0.597122 -0.577798
C -3.356634 1.271017 0.882214
C -4.031970 -0.163944 -1.853658
C -5.023868 -1.440183 0.115822
C -5.923024 -2.273120 -0.757393
C 5.332182 -1.441441 -1.191822
C 5.620644 -2.817748 -1.684341
H 0.546742 -0.475981 0.012726
H -1.130622 2.135281 -0.114122
H -1.397501 -0.689019 -1.330494
H 2.940191 2.455204 0.216905
H -0.409683 2.188409 -2.492833
H 0.549354 0.720008 -2.289923
H 2.017071 2.718285 -2.119933
H 0.999432 3.423890 -0.865182
H 1.540159 0.132231 2.867494
H 2.904361 1.176039 2.485911
H -1.811883 -1.845436 0.752275
H -2.709546 -1.084642 2.057409
H 2.253039 -0.134708 -1.326099
H 3.632413 0.931659 -1.606952
H -2.392899 0.458265 -3.168913
H -3.060488 1.756098 -2.167814
H 0.197594 2.236342 2.659225
H 1.580565 3.181211 2.101018
H 0.101694 3.135029 1.139200
H 3.535797 -1.202723 2.152192
H 2.191076 -1.469705 1.049785
H 4.661867 0.348294 0.555511
H -4.127217 0.993002 1.617980
H -2.570850 1.800287 1.431956
H -3.809772 1.980160 0.183766
H -4.773410 -0.359791 -2.611276
H -5.356153 -2.885213 -1.468854
H -6.616451 -1.647773 -1.333545
H -6.535962 -2.955866 -0.148863
H 4.885350 -3.554987 -1.325544
H 6.617401 -3.147515 -1.351189
H 5.621759 -2.846099 -2.784765


%chk=000247023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247023

0 1
O -0.681235 0.177255 2.897288
O 4.351693 -1.569497 -0.409780
O -5.116431 -1.704043 1.320699
O 6.110839 -0.306280 -1.284473
C 1.318179 1.284631 1.023660
C 0.053934 0.480960 0.549052
C -0.777064 1.234876 -0.569230
C -1.943262 0.323191 -0.983209
C 2.192843 1.644719 -0.237699
C -2.909672 -0.011282 0.202898
C 0.130026 1.602772 -1.766263
C 1.379617 2.394940 -1.323755
C 2.208307 0.458416 2.010869
C -2.108832 -0.858068 1.228080
C -0.880535 -0.041934 1.671412
C 2.917627 0.412600 -0.854039
C -2.896191 0.703019 -2.149486
C 0.907388 2.590314 1.762516
C 2.904457 -0.773300 1.385594
C 3.757130 -0.327103 0.196715
C -4.070299 -0.668657 -0.568246
C -3.483126 1.245794 0.926187
C -4.073542 -0.220852 -1.866076
C -5.112427 -1.517760 0.064020
C -6.182251 -2.154313 -0.821644
C 5.539110 -1.411482 -1.127691
C 6.028610 -2.738944 -1.668935
H 0.406683 -0.448781 0.044739
H -1.179313 2.176099 -0.143613
H -1.495058 -0.651140 -1.286459
H 2.986063 2.333092 0.127640
H -0.452294 2.200969 -2.494702
H 0.432381 0.675014 -2.294528
H 2.029724 2.594128 -2.198532
H 1.064815 3.383217 -0.935673
H 1.604322 0.154624 2.881195
H 2.993746 1.144060 2.393752
H -1.774468 -1.802312 0.751847
H -2.709515 -1.110354 2.115947
H 2.194449 -0.305106 -1.285703
H 3.570675 0.756762 -1.677478
H -2.455776 0.545132 -3.150467
H -3.217501 1.766255 -2.105099
H 0.412623 2.349625 2.718182
H 1.807681 3.195523 1.982827
H 0.221498 3.222787 1.171730
H 3.539216 -1.271066 2.141800
H 2.164885 -1.523804 1.045474
H 4.597047 0.315596 0.526420
H -4.252668 0.926167 1.650452
H -2.706058 1.790064 1.492153
H -3.950319 1.948662 0.212722
H -4.840169 -0.456698 -2.612600
H -5.727730 -2.750176 -1.633978
H -6.814140 -1.377507 -1.291889
H -6.820017 -2.804827 -0.203473
H 5.346930 -3.558392 -1.399660
H 7.035887 -2.947125 -1.267740
H 6.122210 -2.675366 -2.767049


