%chk=000272817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272817

0 1
O 1.367054 -2.119578 0.081643
O -1.419767 3.367781 0.691093
O -2.288486 3.459417 -1.369869
O -0.583183 -0.825270 -1.252422
O -0.226019 -3.055228 1.386630
N -0.891854 0.747637 0.375505
C -3.384334 1.016562 0.626962
C -3.854271 -0.456764 0.693871
C -2.131867 1.267662 -0.229063
C -3.882637 -1.120250 -0.684991
C -3.032283 -1.287440 1.683300
C -1.976049 2.781372 -0.424858
C 1.014811 -0.804826 0.593984
C -0.219292 -0.327529 -0.204762
C 2.214146 0.060508 0.316428
C 2.754308 0.110415 -0.976663
C 2.786684 0.813045 1.351647
C 3.865090 0.918226 -1.233442
C 3.894495 1.622310 1.085674
C 4.433675 1.675780 -0.204432
C 0.621835 -3.198215 0.537889
C 1.078099 -4.419177 -0.171609
H -3.220208 1.393303 1.656512
H -4.217223 1.624353 0.213475
H -4.908586 -0.422464 1.080104
H -2.263455 0.801813 -1.255974
H -4.471054 -0.544342 -1.405398
H -2.870211 -1.244378 -1.102413
H -4.319699 -2.123542 -0.629466
H -2.046124 -1.565943 1.287405
H -2.872340 -0.764858 2.629965
H -3.536548 -2.233981 1.913367
H -0.628273 1.144756 1.274452
H 0.779550 -0.907750 1.680949
H 2.303071 -0.488567 -1.771843
H 2.378910 0.769101 2.359757
H -1.293530 4.348748 0.586620
H 4.286068 0.957639 -2.237445
H 4.340580 2.210511 1.886293
H 5.297692 2.307241 -0.406894
H 2.046232 -4.274684 -0.680208
H 0.347670 -4.705539 -0.949009
H 1.173023 -5.269756 0.521036


%chk=000272817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272817

0 1
O 1.555873 -2.182081 0.169004
O -0.991970 3.192415 0.695827
O -2.318013 3.417894 -1.200942
O -0.434077 -0.899886 -1.305680
O -0.328021 -3.035903 1.240352
N -0.906831 0.529513 0.477695
C -3.413830 1.011616 0.594722
C -4.001503 -0.429736 0.668688
C -2.055793 1.183078 -0.160389
C -4.025985 -1.128288 -0.712361
C -3.329209 -1.321605 1.741459
C -1.813656 2.685805 -0.326748
C 1.143444 -0.822034 0.603591
C -0.147484 -0.421104 -0.169525
C 2.295785 0.114688 0.292508
C 2.754830 0.252784 -1.042281
C 2.907868 0.865473 1.324319
C 3.817067 1.133393 -1.335416
C 3.969189 1.751219 1.028358
C 4.425794 1.886379 -0.302350
C 0.677085 -3.218878 0.517026
C 1.117963 -4.519918 -0.106670
H -3.308550 1.420825 1.620246
H -4.140232 1.658026 0.062628
H -5.056681 -0.281888 0.986287
H -2.146252 0.750667 -1.171266
H -4.520087 -0.499436 -1.478076
H -3.004689 -1.363053 -1.064166
H -4.582375 -2.081481 -0.649075
H -2.300160 -1.606720 1.469572
H -3.302026 -0.810275 2.723436
H -3.903437 -2.258405 1.869802
H -0.596508 0.902259 1.377510
H 0.926043 -0.847829 1.688455
H 2.277099 -0.331649 -1.835942
H 2.565669 0.750839 2.360672
H -0.877375 4.173394 0.576466
H 4.170784 1.235373 -2.367303
H 4.441302 2.326335 1.832518
H 5.250729 2.569692 -0.533131
H 2.216506 -4.587259 -0.144063
H 0.742528 -4.559381 -1.145635
H 0.694885 -5.366756 0.453679


