%chk=000237304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237304

0 1
O 3.653094 -0.512896 -0.292952
O 1.038442 -3.681870 -0.863911
N -0.989768 0.117884 0.927928
N 0.493226 1.945303 0.424132
N 1.106185 -1.728192 0.274576
N 2.835390 1.615768 -0.063330
N 1.918038 3.823457 -0.016346
C -2.241253 0.843650 0.541013
C -2.473479 0.836310 -0.984849
C -3.421527 0.194533 1.293442
C -2.827604 -0.558698 -1.513359
C -3.795522 -1.186955 0.742117
C -4.034841 -1.146565 -0.772156
C 0.272181 0.548072 0.492173
C 1.331139 -0.314560 0.236195
C 1.817921 2.413428 0.130829
C 2.691738 0.178965 -0.059467
C 1.067891 -2.466641 -0.928450
H -2.141131 1.905686 0.890503
H -1.584619 1.224368 -1.517116
H -3.296903 1.539562 -1.222162
H -4.296018 0.871754 1.220119
H -3.186747 0.118490 2.374182
H -1.957271 -1.236758 -1.416389
H -3.042473 -0.502866 -2.598399
H -4.703461 -1.557686 1.256996
H -3.001605 -1.922684 0.978358
H -4.940693 -0.550267 -0.994845
H -4.244620 -2.167427 -1.146455
H -1.104360 -0.909603 0.931598
H -0.281919 2.595500 0.546378
H 1.432185 -2.199580 1.121594
H 1.574089 4.374792 0.762817
H 2.855070 4.130385 -0.294567
H 0.986526 -1.883361 -1.855796


%chk=000237304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237304

0 1
O 3.886935 -0.457868 0.338581
O 0.678165 -3.834117 -0.422586
N -0.902766 0.004919 0.708683
N 0.534973 1.861928 0.281431
N 1.438508 -1.754811 0.361036
N 2.924157 1.675857 0.050027
N 1.880826 3.768311 -0.115137
C -2.170573 0.758708 0.599078
C -2.559481 1.053864 -0.881197
C -3.293463 -0.045854 1.304427
C -2.933777 -0.235344 -1.649304
C -3.679427 -1.332996 0.533583
C -4.061055 -1.015074 -0.931914
C 0.364276 0.471677 0.405271
C 1.498876 -0.330121 0.270078
C 1.817104 2.396291 0.066259
C 2.847032 0.267283 0.227436
C 0.652968 -2.574172 -0.441544
H -2.065824 1.724012 1.145893
H -1.731081 1.576218 -1.398823
H -3.426416 1.746190 -0.874612
H -4.183631 0.608794 1.372450
H -2.986025 -0.282460 2.341147
H -2.037631 -0.882046 -1.739069
H -3.240903 0.022329 -2.680240
H -4.522107 -1.827745 1.051808
H -2.845357 -2.065344 0.544741
H -4.990535 -0.408512 -0.943227
H -4.282840 -1.951073 -1.477813
H -0.958616 -0.983457 0.957491
H -0.260416 2.476133 0.459708
H 2.258147 -2.187445 0.810518
H 1.068530 4.344041 -0.320002
H 2.813600 4.155285 -0.240388
H -0.024876 -1.992103 -1.109391


