%chk=000272214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272214

0 1
O 3.448888 -0.942079 -2.071476
O -3.448857 0.942172 -2.071479
O 9.847383 -0.502559 0.220808
O -9.847399 0.502531 0.220638
O 9.597418 0.497560 2.226512
O -9.597469 -0.497602 2.226339
N 3.523172 0.119290 -0.017924
N -3.523175 -0.119245 -0.017954
C 1.379850 -0.173464 -1.128763
C -1.379834 0.173523 -1.128766
C 4.927446 0.075888 0.237633
C -4.927454 -0.075848 0.237576
C 0.540998 -1.295078 -1.140049
C -0.845606 -1.120683 -1.136046
C 0.845623 1.120741 -1.136218
C -0.540981 1.295136 -1.140226
C 2.867912 -0.386352 -1.166137
C -2.867895 0.386420 -1.166145
C 7.653611 0.057471 0.852499
C -7.653631 -0.057448 0.852389
C 5.844577 -0.474529 -0.675386
C -5.844570 0.474578 -0.675453
C 5.374842 0.619562 1.464498
C -5.374872 -0.619540 1.464426
C 7.201792 -0.480483 -0.363128
C -7.201791 0.480523 -0.363221
C 6.732796 0.606609 1.762875
C -6.732833 -0.606596 1.762776
C 9.084846 0.067075 1.214744
C -9.084874 -0.067059 1.214607
C 11.299135 -0.556292 0.456186
C -11.299163 0.556198 0.455959
C 11.841453 -1.218390 -0.791508
C -11.841473 1.218175 -0.791801
H 0.969098 -2.300058 -1.165778
H -1.503770 -1.991112 -1.158346
H 1.503789 1.991166 -1.158646
H -0.969083 2.300112 -1.166094
H 2.950044 0.547975 0.715290
H -2.950062 -0.547937 0.715267
H 5.499550 -0.897090 -1.626169
H -5.499524 0.897154 -1.626223
H 4.672604 1.046272 2.176429
H -4.672648 -1.046256 2.176365
H 7.926266 -0.905921 -1.065938
H -7.926252 0.905968 -1.066040
H 7.097150 1.023137 2.708013
H -7.097204 -1.023137 2.707901
H 11.466326 -1.140511 1.377419
H 11.652868 0.479336 0.598854
H -11.466416 1.140475 1.377144
H -11.652845 -0.479439 0.598691
H 12.932231 -1.320622 -0.743850
H 11.413080 -2.220325 -0.933010
H 11.594451 -0.640093 -1.692636
H -12.932259 1.320356 -0.744187
H -11.413146 2.220122 -0.933363
H -11.594413 0.639824 -1.692879


%chk=000272214-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272214

0 1
O 3.252468 -1.777794 -0.803147
O -3.252463 1.777753 -0.803270
O 10.113360 -0.574234 -0.007187
O -10.113372 0.574221 -0.007382
O 10.065812 1.556906 0.939695
O -10.065838 -1.556886 0.939576
N 3.730061 0.357994 0.052963
N -3.730072 -0.358003 0.052912
C 1.400603 -0.263549 -0.407091
C -1.400606 0.263522 -0.407125
C 5.147504 0.336126 0.128132
C -5.147517 -0.336132 0.128056
C 0.466570 -1.330023 -0.429693
C -0.916675 -1.072457 -0.425690
C 0.916672 1.072429 -0.425721
C -0.466572 1.329995 -0.429757
C 2.863718 -0.634217 -0.414670
C -2.863721 0.634190 -0.414743
C 7.975695 0.453421 0.336224
C -7.975712 -0.453421 0.336103
C 5.936901 -0.762073 -0.313425
C -5.936907 0.762051 -0.313556
C 5.783893 1.487335 0.674844
C -5.783915 -1.487321 0.674799
C 7.338303 -0.691553 -0.206413
C -7.338311 0.691534 -0.206565
C 7.181123 1.543991 0.777542
C -7.181147 -1.543974 0.777475
C 9.453934 0.564861 0.465273
C -9.453952 -0.564856 0.465129
C 11.604071 -0.545068 0.081485
C -11.604084 0.545056 0.081262
C 12.105059 -1.867872 -0.488791
C -12.105064 1.867839 -0.489067
H 0.854106 -2.352896 -0.467504
H -1.605112 -1.924629 -0.482746
H 1.605110 1.924598 -0.482802
H -0.854108 2.352866 -0.467617
H 3.291665 1.202835 0.426438
H -3.291684 -1.202831 0.426426
H 5.444536 -1.644314 -0.724255
H -5.444535 1.644276 -0.724410
H 5.178350 2.336427 1.017374
H -5.178377 -2.336400 1.017372
H 7.953401 -1.530201 -0.543958
H -7.953403 1.530170 -0.544152
H 7.681987 2.423041 1.195391
H -7.682018 -2.423008 1.195347
H 11.886362 -0.404578 1.140720
H 11.968721 0.328872 -0.488302
H -11.886395 0.404599 1.140496
H -11.968722 -0.328904 -0.488503
H 13.209130 -1.898516 -0.446538
H 11.711898 -2.721322 0.089731
H 11.794698 -1.986878 -1.541007
H -13.209135 1.898483 -0.446835
H -11.711916 2.721309 0.089436
H -11.794682 1.986812 -1.541280


