%chk=000212399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212399

0 1
O 5.329040 0.703253 0.646952
O 5.253854 -1.564219 0.368398
N -2.559497 -0.253521 -0.665160
N 0.902414 -0.029960 0.792909
N 3.642262 -0.469438 1.670613
C -3.468015 0.832915 -0.179593
C -4.390089 0.434913 0.995100
C -4.291184 1.385977 -1.367994
C -5.140904 1.653263 1.552016
C -5.563472 2.113824 -0.911119
C -5.408054 2.728042 0.485054
C -1.456910 -0.554516 0.294791
C -3.215158 -1.455135 -1.265542
C -0.207631 0.223798 -0.182799
C 1.593028 -1.328493 0.495968
C 1.890913 1.098873 0.784409
C -3.745753 -2.491091 -0.259780
C -2.223766 -2.113598 -2.239256
C 2.668953 -1.596708 1.566875
C 2.964560 0.843517 1.862035
C 4.759432 -0.547857 0.815136
C 6.621309 0.747224 -0.039713
C 6.422732 0.581675 -1.531754
H -2.792346 1.656749 0.180806
H -5.112262 -0.333645 0.655965
H -3.797922 -0.039745 1.798674
H -3.647522 2.063605 -1.958580
H -4.567558 0.564504 -2.062506
H -6.098250 1.317213 1.993185
H -4.565846 2.101218 2.384341
H -5.825836 2.900548 -1.642597
H -6.415394 1.406261 -0.905645
H -6.315651 3.301420 0.748906
H -4.578665 3.461179 0.475215
H -1.700021 -0.266466 1.340505
H -1.235054 -1.642175 0.326280
H -4.090971 -1.070644 -1.865518
H -0.442704 1.309312 -0.209049
H 0.040934 -0.060540 -1.226951
H 0.832209 -2.138720 0.529960
H 2.048952 -1.358991 -0.517510
H 1.345716 2.036304 1.029408
H 2.373827 1.251367 -0.204694
H -4.166217 -3.359454 -0.777018
H -4.538703 -2.067017 0.368200
H -2.960387 -2.861188 0.406389
H -1.387843 -2.590654 -1.718462
H -1.795351 -1.366438 -2.919253
H -2.718248 -2.877710 -2.845879
H 2.197813 -1.709580 2.570413
H 3.215146 -2.541405 1.343058
H 3.719947 1.660950 1.860889
H 2.495244 0.821481 2.873290
H 7.275597 -0.031936 0.390666
H 6.965919 1.757367 0.247834
H 6.072924 -0.435822 -1.769617
H 5.673946 1.281650 -1.921535
H 7.356311 0.744966 -2.082017


%chk=000212399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212399

0 1
O 5.635553 0.879623 0.744507
O 5.509404 -1.466200 0.932017
N -2.830019 -0.483012 -0.586976
N 0.810295 0.083871 0.413251
N 3.591458 -0.122926 1.099311
C -3.624450 0.654866 -0.057533
C -4.640524 0.312003 1.074625
C -4.344342 1.444018 -1.196970
C -5.169133 1.608706 1.756957
C -5.559276 2.267167 -0.680061
C -5.297879 2.793048 0.749966
C -1.564155 -0.747124 0.122696
C -3.547236 -1.644975 -1.174782
C -0.414506 0.137469 -0.423739
C 1.511555 -1.224043 0.339050
C 1.751567 1.191050 0.104654
C -3.853620 -2.811401 -0.186271
C -2.791867 -2.178165 -2.417245
C 2.687854 -1.265904 1.332446
C 2.931673 1.197210 1.096343
C 4.941193 -0.337541 0.926538
C 7.097346 0.739799 0.497345
C 7.385868 0.493883 -0.986728
H -2.880225 1.340809 0.398557
H -5.485083 -0.261668 0.643527
H -4.160691 -0.341701 1.828454
H -3.604199 2.110158 -1.680430
H -4.681067 0.739411 -1.980782
H -6.153841 1.400217 2.218459
H -4.491154 1.899591 2.583137
H -5.769723 3.103782 -1.373617
H -6.469749 1.635062 -0.667412
H -6.106252 3.477587 1.070065
H -4.365375 3.392574 0.744261
H -1.644260 -0.564632 1.218478
H -1.300847 -1.813584 0.001926
H -4.522414 -1.255123 -1.526276
H -0.766699 1.186565 -0.436688
H -0.218144 -0.149379 -1.487499
H 0.804911 -2.031710 0.598414
H 1.896430 -1.422015 -0.694711
H 1.207021 2.150062 0.186325
H 2.154677 1.111801 -0.937864
H -4.463722 -3.586417 -0.687679
H -4.408377 -2.455203 0.698308
H -2.924517 -3.299790 0.163593
H -1.790695 -2.560082 -2.139853
H -2.653704 -1.369357 -3.155524
H -3.346069 -3.009022 -2.893615
H 2.291099 -1.211453 2.366191
H 3.270447 -2.194148 1.219960
H 3.668222 1.966814 0.825452
H 2.543755 1.410865 2.113113
H 7.482468 -0.087549 1.118755
H 7.511027 1.700890 0.844766
H 6.970385 -0.477277 -1.303839
H 6.950884 1.293493 -1.611606
H 8.478522 0.475705 -1.159051


