%chk=000245612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245612

0 1
O -4.912986 1.034147 -1.352018
O 5.320622 0.164602 -0.562658
O -5.463130 1.105093 1.453803
O 4.836174 2.444862 1.104631
N 1.912974 -3.526886 -0.487868
C 0.080867 -1.692735 -0.099215
C -1.309482 -2.280569 -0.433110
C 0.397165 -0.444123 -0.953096
C -2.418012 -1.369756 0.018493
C 1.601097 0.292072 -0.431138
C -3.125501 -0.605065 -0.926801
C 2.891581 -0.145988 -0.779785
C -2.748685 -1.283855 1.374440
C 1.442937 1.403095 0.401665
C 1.101955 -2.722447 -0.314666
C -4.155212 0.238177 -0.510741
C 4.011983 0.520032 -0.286837
C -3.777657 -0.439450 1.800747
C 2.560872 2.087562 0.889302
C -4.489104 0.327997 0.869867
C 3.850385 1.657360 0.554083
C -4.642494 0.955115 -2.772597
C 5.536006 -1.099204 -1.240193
C -6.281392 1.935576 0.592739
C 6.216169 2.056670 0.890670
H 0.101678 -1.396068 0.988055
H -1.382140 -2.487501 -1.520255
H -1.422692 -3.273887 0.054029
H -0.492681 0.223204 -0.953216
H 0.545291 -0.728275 -2.014389
H -2.864470 -0.681680 -1.978430
H 3.005219 -1.008961 -1.432235
H -2.209261 -1.876270 2.111616
H 0.447948 1.746556 0.680370
H -4.042684 -0.365525 2.855754
H 2.447563 2.957384 1.535997
H -4.824417 -0.058709 -3.140447
H -3.624193 1.292311 -2.985701
H -5.381649 1.658544 -3.177350
H 5.149810 -1.048503 -2.261984
H 5.084832 -1.922134 -0.675788
H 6.630447 -1.170352 -1.234592
H -6.837079 1.311333 -0.114545
H -5.654890 2.664125 0.067347
H -6.946951 2.420224 1.315995
H 6.450013 2.077808 -0.179515
H 6.397612 1.062894 1.312034
H 6.756259 2.835996 1.439430


%chk=000245612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245612

0 1
O -4.949328 1.140831 -1.470272
O 5.457643 0.133695 -0.831724
O -5.463690 1.476435 1.315293
O 5.181470 2.459417 0.805334
N 1.938591 -3.529620 -0.374046
C 0.102980 -1.616452 -0.047038
C -1.323871 -2.191528 -0.365198
C 0.444849 -0.364374 -0.926232
C -2.436917 -1.238565 0.047084
C 1.705115 0.368316 -0.491174
C -3.183570 -0.528639 -0.926614
C 2.984437 -0.105393 -0.879056
C -2.734051 -1.029300 1.415422
C 1.625358 1.521852 0.323722
C 1.121640 -2.673493 -0.214065
C -4.207610 0.374599 -0.553966
C 4.166346 0.542586 -0.455362
C -3.764822 -0.144334 1.794640
C 2.802248 2.170690 0.757524
C -4.515906 0.561235 0.830020
C 4.077989 1.695528 0.387860
C -4.599502 1.032878 -2.889177
C 5.569373 -1.057438 -1.681354
C -6.828029 1.436939 0.747825
C 6.314228 1.754339 1.441139
H 0.122277 -1.301567 1.015470
H -1.378376 -2.413584 -1.447379
H -1.433066 -3.155040 0.167328
H -0.424474 0.313863 -0.857234
H 0.523307 -0.695970 -1.979924
H -2.950952 -0.682912 -1.985675
H 3.049713 -0.989413 -1.520756
H -2.177054 -1.573174 2.187714
H 0.646476 1.911757 0.625959
H -4.015483 0.021919 2.846940
H 2.761266 3.063495 1.389284
H -4.771475 0.008111 -3.271815
H -3.546232 1.325416 -3.064345
H -5.269667 1.737283 -3.403314
H 5.086446 -0.892865 -2.663856
H 5.125543 -1.945439 -1.192013
H 6.650043 -1.207363 -1.821155
H -7.275299 0.434137 0.891589
H -6.820114 1.696213 -0.322813
H -7.392939 2.183643 1.326297
H 6.792992 1.056948 0.735452
H 5.971059 1.205710 2.339908
H 7.011733 2.553423 1.735650


