%chk=000230514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230514

0 1
O -1.971142 -1.914007 -1.673631
N -1.419419 -0.482644 0.041283
N 4.287338 2.589516 -0.313930
C -0.514584 -0.212577 1.215054
C 0.740082 0.513605 0.765228
C -2.403639 0.511399 -0.301318
C -1.208888 0.581131 2.295271
C -2.857817 1.404000 0.706740
C -2.295535 1.323769 2.054782
C -1.282835 -1.683224 -0.696688
C 1.998394 -0.056630 1.000428
C 0.669983 1.762314 0.130507
C -2.926847 0.615815 -1.603559
C -3.830251 2.364297 0.391390
C 3.098576 1.853776 -0.036071
C 3.164294 0.594499 0.606074
C 1.825074 2.424425 -0.273158
C -0.261783 -2.671684 -0.210618
C -3.891324 1.580132 -1.892516
C -4.347649 2.455180 -0.900512
C -0.663824 -3.715090 0.633396
C 1.057713 -2.593424 -0.670955
C 5.538517 1.797405 -0.471699
C 4.183232 3.656194 -1.347965
C 0.268209 -4.678759 1.027809
C 1.983663 -3.563046 -0.273495
C 1.590212 -4.602777 0.575082
H -0.234668 -1.211207 1.659895
H -0.742012 0.516366 3.275382
H -2.795031 1.894385 2.837389
H 2.074301 -1.026041 1.495647
H -0.304801 2.220910 -0.052169
H -2.593342 -0.066708 -2.392612
H -4.182510 3.045184 1.165636
H 4.125524 0.130889 0.813112
H 1.736087 3.393272 -0.759291
H -4.292399 1.648916 -2.903753
H -5.102887 3.201197 -1.135811
H -1.698433 -3.778475 0.971731
H 1.360086 -1.780213 -1.332933
H 6.396782 2.482898 -0.565996
H 5.530968 1.124670 -1.343281
H 5.710849 1.194113 0.437255
H 3.957173 3.276463 -2.356567
H 3.395371 4.374595 -1.058786
H 5.128968 4.220877 -1.389628
H -0.037827 -5.493358 1.682645
H 3.010753 -3.509231 -0.631107
H 2.312900 -5.358397 0.880714


%chk=000230514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230514

0 1
O -2.691043 -2.159940 -0.952924
N -1.409084 -0.521884 0.140412
N 4.357883 2.664156 -0.620906
C -0.362710 -0.236445 1.173433
C 0.872956 0.510350 0.641081
C -2.359866 0.521833 -0.160976
C -0.967564 0.538139 2.343392
C -2.689548 1.464483 0.862113
C -2.045480 1.350127 2.172625
C -1.627374 -1.836833 -0.340071
C 2.087118 0.439094 1.369713
C 0.856865 1.307538 -0.528994
C -2.972549 0.621515 -1.432823
C -3.635151 2.484843 0.583060
C 3.221980 1.956980 -0.209899
C 3.238235 1.139607 0.966037
C 1.999043 2.014863 -0.951203
C -0.561898 -2.883051 -0.113977
C -3.905187 1.648893 -1.691078
C -4.243730 2.583719 -0.683508
C -0.998340 -4.178974 0.268591
C 0.811285 -2.670398 -0.404229
C 5.592453 2.593650 0.168082
C 4.305005 3.499179 -1.826208
C -0.072690 -5.234537 0.399289
C 1.733009 -3.735321 -0.293152
C 1.297663 -5.015828 0.118242
H -0.027967 -1.216808 1.555451
H -0.451964 0.456110 3.306402
H -2.437770 1.950360 3.001996
H 2.141038 -0.184769 2.272022
H -0.056529 1.379084 -1.127819
H -2.737983 -0.109875 -2.208205
H -3.884715 3.202698 1.373881
H 4.149857 1.044896 1.563007
H 1.934936 2.612866 -1.864825
H -4.371255 1.713301 -2.680355
H -4.972490 3.375688 -0.886511
H -2.066434 -4.343673 0.444303
H 1.158112 -1.684400 -0.730425
H 6.366209 3.218678 -0.305039
H 5.985468 1.557793 0.230839
H 5.443360 2.963207 1.203853
H 4.068409 2.903077 -2.731571
H 3.543693 4.301765 -1.740036
H 5.284374 3.977800 -1.984392
H -0.418244 -6.227355 0.707847
H 2.788413 -3.562873 -0.531225
H 2.015803 -5.838628 0.209080


