%chk=000229926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229926

0 1
O -3.965221 -0.071306 0.003055
O 3.483170 1.438972 0.005541
O 0.736607 1.566497 0.005221
O -2.918188 -2.076296 -0.001268
N 4.361902 -0.700050 0.000112
N 2.007732 -0.373681 0.001206
C 5.813484 -0.274039 0.001029
C 6.652174 -1.564204 -0.002239
C 6.090673 0.553959 -1.260293
C 6.090890 0.547703 1.266386
C 3.323620 0.238600 0.002583
C -6.263366 0.404969 0.004252
C -7.706478 -0.114073 0.006603
C -5.271213 -0.750757 0.001985
C -8.710720 1.035129 0.008163
C 0.787241 0.361642 0.002728
C -2.852214 -0.867313 0.001176
C -0.421768 -0.530864 0.001198
C -1.645262 0.002325 0.002688
H 6.469976 -2.181688 0.883864
H 6.469772 -2.177337 -0.891314
H 7.722434 -1.320862 -0.001768
H 5.473907 1.468513 -1.274698
H 5.865530 0.001120 -2.177255
H 7.136413 0.871942 -1.308446
H 5.474320 1.462308 1.285293
H 5.865619 -0.009573 2.180632
H 7.136705 0.865185 1.316094
H 4.176053 -1.696251 -0.002582
H -6.081665 1.055239 0.884317
H -6.084825 1.056093 -0.875800
H -7.879023 -0.759005 -0.878144
H -7.876156 -0.758880 0.892001
H -5.321910 -1.380411 -0.902054
H -5.321629 -1.383719 0.903732
H -8.596502 1.675220 -0.874702
H -9.740943 0.660269 0.008920
H -8.594816 1.674245 0.891513
H 1.949956 -1.394068 -0.000917
H -0.267302 -1.614253 -0.001156
H -1.830079 1.086702 0.005041


%chk=000229926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229926

0 1
O -3.964599 0.160562 0.005205
O 3.684438 1.666595 0.006799
O 0.783672 1.921452 0.006084
O -2.780847 -1.855848 0.004154
N 4.350334 -0.583026 0.000190
N 2.063700 -0.075960 0.003363
C 5.833618 -0.359241 -0.000052
C 6.479872 -1.766188 -0.004783
C 6.250292 0.422617 -1.273061
C 6.251881 0.414709 1.277260
C 3.410029 0.440846 0.003552
C -6.386996 0.402263 0.004621
C -7.767417 -0.297649 0.004512
C -5.244750 -0.612022 0.004903
C -8.936644 0.709909 0.003973
C 0.859995 0.666551 0.004847
C -2.794378 -0.597632 0.004818
C -0.348861 -0.225185 0.004502
C -1.606359 0.292356 0.005144
H 6.192621 -2.344365 0.894257
H 6.191586 -2.338808 -0.907045
H 7.578795 -1.670621 -0.005106
H 5.761531 1.409899 -1.294464
H 5.966663 -0.134119 -2.184603
H 7.345452 0.570198 -1.280410
H 5.762823 1.401665 1.305653
H 5.969810 -0.147948 2.185643
H 7.346994 0.562672 1.283944
H 4.042478 -1.557656 -0.002674
H -6.297259 1.055113 0.893893
H -6.297014 1.054892 -0.884790
H -7.847420 -0.957540 -0.883228
H -7.847799 -0.957050 0.892579
H -5.257272 -1.261753 -0.890320
H -5.257689 -1.261711 0.900152
H -8.898829 1.361455 -0.888988
H -9.912889 0.192208 0.003906
H -8.899224 1.361971 0.896573
H 1.952421 -1.093207 0.002055
H -0.230451 -1.318548 0.003733
H -1.763411 1.376144 0.005906


