%chk=000298694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298694

0 1
O -2.833710 0.702805 0.233016
O -3.497389 -1.442915 -0.194466
O 8.978677 -0.684076 0.021909
N 2.750326 0.545110 0.231749
N 3.413178 -0.503582 0.027771
C -8.776766 -0.937754 -0.132766
C -7.631361 0.062025 0.077135
C -10.145066 -0.255655 -0.003551
C -6.267201 -0.625246 -0.053120
C -11.291859 -1.254604 -0.213609
C -5.123454 0.373061 0.156205
C -12.656696 -0.581863 -0.086288
C -3.788211 -0.300724 0.029747
C -1.453681 0.507291 0.201732
C -0.813452 -0.711250 -0.035592
C -0.747488 1.700957 0.441274
C 0.581816 -0.736663 -0.033154
C 0.641701 1.662548 0.441102
C 1.313419 0.441986 0.203601
C 4.845052 -0.408833 0.054273
C 7.624520 -0.492485 0.052652
C 5.585579 0.763652 0.290662
C 5.513337 -1.635037 -0.185109
C 6.980194 0.730752 0.291647
C 6.897643 -1.682033 -0.186963
C 9.854034 0.469646 0.255129
C 11.241870 -0.128022 0.143549
H -8.685744 -1.412577 -1.129173
H -8.697011 -1.763009 0.601511
H -7.714004 0.886183 -0.658044
H -7.725302 0.535488 1.073910
H -10.228353 0.568899 -0.737470
H -10.239774 0.218250 0.992395
H -6.171459 -1.104289 -1.049223
H -6.182559 -1.454037 0.679583
H -11.200725 -1.728605 -1.210643
H -11.212185 -2.079628 0.521272
H -5.187549 1.210246 -0.574572
H -5.199462 0.861509 1.153541
H -12.796280 -0.134853 0.904554
H -13.468512 -1.302284 -0.237710
H -12.784801 0.216061 -0.826541
H -1.384482 -1.625562 -0.219286
H -1.292603 2.625422 0.620947
H 1.109078 -1.676943 -0.216080
H 1.220016 2.570964 0.623620
H 7.538535 1.642031 0.475294
H 7.439229 -2.608468 -0.367596
H 5.063000 1.706189 0.474684
H 4.927504 -2.539419 -0.367479
H 9.647228 1.224533 -0.522537
H 9.638226 0.870917 1.260016
H 12.017816 0.630547 0.296838
H 11.393781 -0.926313 0.884155
H 11.401683 -0.585244 -0.843508


%chk=000298694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298694

0 1
O -2.820670 0.789019 0.149645
O -3.543820 -1.398321 -0.363166
O 9.089881 -0.761818 0.046944
N 2.838007 0.586492 0.194718
N 3.450169 -0.545883 -0.061083
C -8.872893 -0.943308 -0.099342
C -7.709874 0.066301 0.029129
C -10.267032 -0.290762 0.034954
C -6.321906 -0.598530 -0.099171
C -11.429291 -1.302621 -0.089035
C -5.174677 0.420522 0.039772
C -12.819020 -0.644626 0.050805
C -3.798955 -0.208937 -0.090437
C -1.408434 0.591526 0.120451
C -0.747520 -0.634597 -0.158792
C -0.678142 1.768324 0.408141
C 0.658485 -0.663427 -0.142565
C 0.725968 1.725010 0.421056
C 1.410383 0.509994 0.147302
C 4.872960 -0.482231 -0.010104
C 7.702995 -0.597903 0.043409
C 5.633590 0.682956 0.291578
C 5.552402 -1.702989 -0.285472
C 7.036824 0.630647 0.319374
C 6.952761 -1.764750 -0.260142
C 9.935899 0.411932 0.359165
C 11.384720 -0.062929 0.301061
H -8.802426 -1.460064 -1.079213
H -8.760995 -1.730643 0.675079
H -7.820013 0.851105 -0.748624
H -7.784799 0.585201 1.007995
H -10.382808 0.495049 -0.740852
H -10.338296 0.227316 1.014486
H -6.239317 -1.113870 -1.075159
H -6.210340 -1.385053 0.671940
H -11.359566 -1.818761 -1.068378
H -11.310994 -2.088478 0.684833
H -5.258104 1.215422 -0.728381
H -5.221441 0.945697 1.013641
H -12.925599 -0.149042 1.034387
H -13.631550 -1.388575 -0.042188
H -12.973903 0.124342 -0.729583
H -1.324114 -1.533143 -0.378902
H -1.224448 2.692469 0.616999
H 1.198707 -1.591629 -0.351673
H 1.318975 2.618135 0.641495
H 7.604163 1.536103 0.553945
H 7.490359 -2.694309 -0.468092
H 5.099000 1.614680 0.501126
H 4.951460 -2.588689 -0.515399
H 9.742010 1.210700 -0.385233
H 9.674915 0.792648 1.367464
H 12.067188 0.776571 0.526396
H 11.561802 -0.865403 1.037001
H 11.627626 -0.451770 -0.702313


