%chk=000299892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299892

0 1
O -1.647526 -2.311870 -0.077170
O 2.535927 0.163457 1.162036
N 0.511285 -2.957594 0.061882
N 2.740246 1.352467 -0.748112
C -1.407919 0.119687 1.288686
C -0.385344 1.573745 -0.128011
C -0.123009 -0.670543 0.843347
C 0.540470 0.297891 -0.197249
C -1.733814 0.861877 -0.012480
C -0.889764 1.294962 2.125370
C -0.276207 2.151442 1.286674
C -0.498841 -2.015729 0.240733
C 1.990661 0.594154 0.147880
C -2.814907 0.829849 -0.791850
C -2.940797 1.652797 -2.035887
C -3.967703 -0.067659 -0.469545
C 0.181648 -4.272299 -0.535619
C 1.923615 -2.767295 0.443457
C 4.153033 1.666622 -0.435912
C 2.217438 1.870298 -2.027910
H -2.191924 -0.501412 1.731818
H -0.234938 2.280772 -0.950749
H 0.555675 -0.818565 1.721717
H 0.478809 -0.140959 -1.218770
H -1.018159 1.344366 3.186909
H 0.223451 3.075262 1.490552
H -2.991809 1.006964 -2.923988
H -3.861035 2.253409 -2.015849
H -2.104379 2.346093 -2.178140
H -4.463494 0.226827 0.463536
H -4.727630 -0.091974 -1.256697
H -3.605883 -1.107875 -0.332650
H -0.885721 -4.295702 -0.837553
H 0.343289 -5.085109 0.190361
H 0.796179 -4.459792 -1.429486
H 2.540017 -2.515065 -0.435514
H 2.332960 -3.681210 0.904188
H 2.045943 -1.946365 1.182728
H 4.435165 1.212626 0.537341
H 4.304938 2.754720 -0.355570
H 4.825751 1.260647 -1.207456
H 1.259227 2.406547 -1.880034
H 2.052242 1.049498 -2.747795
H 2.923334 2.581839 -2.486719


%chk=000299892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299892

0 1
O -1.508131 -2.259047 -0.482599
O 2.617764 0.230671 1.085493
N 0.581955 -3.068792 0.131180
N 2.723515 1.393275 -0.919007
C -1.393957 0.011750 1.258123
C -0.410595 1.619880 -0.021503
C -0.066877 -0.716228 0.757935
C 0.547466 0.344875 -0.234705
C -1.748436 0.869270 0.034084
C -0.880628 1.104015 2.206444
C -0.275521 2.059775 1.441143
C -0.383169 -2.062743 0.088814
C 2.031062 0.639648 0.026619
C -2.849058 0.927890 -0.754292
C -2.969708 1.888831 -1.927038
C -4.049487 0.022608 -0.545447
C 0.261164 -4.378214 -0.465360
C 1.903741 -2.985133 0.777638
C 4.129740 1.750704 -0.656499
C 2.173894 1.908052 -2.181883
H -2.151851 -0.677696 1.649477
H -0.276726 2.402097 -0.781755
H 0.624106 -0.840255 1.606993
H 0.397329 -0.001523 -1.273952
H -0.905863 1.043338 3.297485
H 0.284477 2.933537 1.783078
H -3.113804 1.331985 -2.874691
H -3.856888 2.542312 -1.806596
H -2.085552 2.538787 -2.040430
H -4.961892 0.614651 -0.330174
H -4.248454 -0.562811 -1.464473
H -3.888762 -0.699138 0.269042
H -0.755377 -4.329384 -0.883511
H 0.306873 -5.174464 0.303269
H 0.981269 -4.626008 -1.269165
H 2.677362 -3.363799 0.081428
H 1.933702 -3.613819 1.690916
H 2.171224 -1.952970 1.046284
H 4.413810 1.337520 0.322468
H 4.254124 2.850799 -0.643173
H 4.790508 1.330726 -1.439451
H 1.193832 1.466142 -2.405780
H 2.860191 1.660114 -3.014391
H 2.062133 3.010572 -2.149537


