%chk=000213180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213180

0 1
O -1.245322 -0.526742 0.977410
O 3.562693 -1.679726 1.225002
O 4.937428 -1.101120 -0.476565
O -2.660198 1.272174 1.125838
N 2.650235 -0.642612 -0.611591
N -3.143531 -0.523324 -0.280505
C 0.931037 0.575881 0.837097
C 0.495253 1.659192 -0.174180
C 1.339294 -0.722808 0.070509
C -0.247696 0.187864 1.766562
C 2.081214 1.059055 1.728137
C 0.018853 2.970629 0.462995
C 2.747676 -0.028467 -1.965350
C -0.224909 4.048018 -0.591922
C 3.804677 -1.120238 -0.027795
C 2.273809 -0.986904 -3.053281
C -2.396918 0.183343 0.648777
C -2.725632 -1.869025 -0.756480
C -4.483098 -0.000202 -0.664597
C -1.675074 -1.754709 -1.860098
C -5.598583 -0.601158 0.186574
H 1.341052 1.867059 -0.865594
H -0.319598 1.255960 -0.809136
H 0.544378 -0.971881 -0.681802
H 1.362972 -1.580323 0.786378
H 0.034655 -0.562825 2.525092
H -0.704351 1.067692 2.257449
H 2.536857 0.228651 2.285280
H 1.754955 1.813977 2.451034
H 2.880682 1.514461 1.130457
H 0.757861 3.333931 1.201589
H -0.924337 2.787596 1.026856
H 3.810666 0.264450 -2.150971
H 2.141453 0.912150 -1.965639
H -0.980933 3.733306 -1.320377
H 0.688312 4.293725 -1.143747
H -0.588683 4.972753 -0.128771
H 2.380990 -0.532477 -4.045653
H 1.223181 -1.271550 -2.930283
H 2.864191 -1.913726 -3.054990
H -3.620601 -2.417673 -1.122714
H -2.312639 -2.449779 0.102978
H -4.644306 -0.219475 -1.743112
H -4.472881 1.112050 -0.549725
H 4.409688 -2.042433 1.603091
H -1.425370 -2.739039 -2.270105
H -0.741256 -1.308693 -1.465419
H -2.015234 -1.121152 -2.686774
H -6.575929 -0.203267 -0.111199
H -5.462016 -0.361700 1.250503
H -5.645266 -1.692289 0.103969


%chk=000213180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213180

0 1
O -1.261672 -0.505061 0.682892
O 4.028580 -1.268664 1.270761
O 5.174039 -0.739979 -0.697396
O -2.846952 1.139789 1.286659
N 2.837664 -0.503558 -0.574510
N -3.354602 -0.535891 -0.275593
C 0.995155 0.550505 0.914101
C 0.680630 1.686289 -0.107107
C 1.578770 -0.707036 0.178499
C -0.287036 0.075873 1.644587
C 1.979624 1.044076 2.006090
C 0.062554 2.987135 0.460565
C 2.773756 -0.209010 -2.032501
C -0.177368 4.031015 -0.653065
C 4.078041 -0.816399 -0.072333
C 2.776011 -1.490562 -2.892590
C -2.530859 0.118040 0.613597
C -2.943230 -1.749657 -1.017735
C -4.720571 0.000452 -0.483842
C -2.247190 -1.427527 -2.357905
C -5.759909 -0.634223 0.464122
H 1.628247 1.950959 -0.618771
H -0.003124 1.285405 -0.885606
H 0.817119 -1.072926 -0.535411
H 1.747131 -1.501704 0.926213
H -0.047233 -0.737480 2.354466
H -0.777422 0.904232 2.183572
H 2.276627 0.220550 2.678840
H 1.531140 1.850616 2.613124
H 2.900843 1.438412 1.541974
H 0.736040 3.423057 1.223837
H -0.899746 2.766906 0.960262
H 3.644593 0.416462 -2.292819
H 1.859972 0.378772 -2.216439
H -0.873921 3.638964 -1.418532
H 0.767886 4.298943 -1.162912
H -0.616785 4.959200 -0.244239
H 2.699506 -1.230774 -3.964444
H 1.923265 -2.146561 -2.637392
H 3.713552 -2.051565 -2.740065
H -3.854241 -2.351233 -1.197593
H -2.270397 -2.344556 -0.379261
H -4.996308 -0.179301 -1.540237
H -4.685781 1.090698 -0.320235
H 4.963536 -1.470099 1.533633
H -1.991507 -2.360302 -2.893865
H -1.315631 -0.862692 -2.178509
H -2.899422 -0.822525 -3.013603
H -6.767838 -0.231630 0.253728
H -5.507411 -0.404226 1.513274
H -5.798425 -1.732610 0.344916


