%chk=000227974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227974

0 1
O 1.436041 -2.222420 -0.088148
O 2.524726 2.387650 0.719587
O -0.701555 1.214583 -2.256689
N 0.347476 -0.538048 -1.151959
N 0.970409 1.764965 -0.790065
N -1.967538 -0.070207 0.947905
C 2.088772 -0.003018 0.625993
C 1.571592 -0.099305 2.090362
C 3.593107 -0.344871 0.502899
C 1.299620 -1.023821 -0.198781
C 1.918979 1.464009 0.223512
C -0.658188 -1.514282 -1.683012
C 1.910493 -1.408456 2.788530
C 4.131170 -0.152722 -0.909501
C 0.122949 0.833890 -1.451306
C -1.647013 -1.945146 -0.587231
C -2.480089 -0.795828 -0.087908
C -3.726548 -0.490966 -0.671161
C -4.458631 0.586707 -0.170378
C -2.696482 0.974193 1.423366
C -3.945258 1.333646 0.895248
H 0.466371 0.043753 2.086572
H 1.993014 0.749334 2.671489
H 3.747965 -1.397629 0.824362
H 4.161624 0.286857 1.217820
H -0.103074 -2.404665 -2.061425
H -1.192937 -1.047294 -2.543520
H 0.846348 2.757085 -1.050643
H 1.650013 -2.283402 2.171793
H 2.976597 -1.486341 3.029335
H 1.354546 -1.501889 3.729701
H 3.596921 -0.766234 -1.645091
H 4.075917 0.892510 -1.238192
H 5.188867 -0.443754 -0.963158
H -2.295814 -2.755503 -0.978016
H -1.083843 -2.405664 0.260389
H -4.104254 -1.078324 -1.503956
H -5.422884 0.845919 -0.608440
H -2.249338 1.529567 2.255820
H -4.496871 2.176523 1.302696


%chk=000227974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227974

0 1
O 1.562563 -2.185998 -0.318978
O 2.912778 2.387908 0.442135
O -0.821051 1.402261 -2.110198
N 0.316570 -0.414653 -1.142981
N 1.058028 1.824660 -0.811464
N -2.009754 -0.078612 0.939527
C 2.201020 0.032009 0.497339
C 1.533786 0.026303 1.947710
C 3.686960 -0.421941 0.555497
C 1.377092 -0.938596 -0.360027
C 2.121885 1.493722 0.041744
C -0.653335 -1.377263 -1.726878
C 1.702047 -1.284227 2.741022
C 4.415490 -0.358264 -0.803222
C 0.112170 0.958867 -1.390964
C -1.654022 -1.913491 -0.663961
C -2.545413 -0.838080 -0.072454
C -3.862543 -0.619266 -0.551476
C -4.650199 0.403416 0.019498
C -2.782244 0.909065 1.480680
C -4.101439 1.187251 1.059749
H 0.454288 0.245575 1.830998
H 1.998293 0.864257 2.501773
H 3.704432 -1.457445 0.934072
H 4.202994 0.224701 1.288249
H -0.076916 -2.222565 -2.137195
H -1.181523 -0.852615 -2.538245
H 0.941903 2.814812 -1.050670
H 1.332009 -2.156958 2.176186
H 2.755741 -1.473177 3.010506
H 1.122713 -1.213650 3.679970
H 3.933361 -1.016006 -1.549815
H 4.443115 0.672298 -1.201367
H 5.460903 -0.697507 -0.691070
H -2.270038 -2.687716 -1.156920
H -1.079307 -2.402603 0.141311
H -4.257028 -1.242478 -1.361020
H -5.669088 0.585586 -0.338636
H -2.317925 1.491752 2.285217
H -4.675114 1.990071 1.533158


