%chk=000190668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190668

0 1
O 1.823580 1.204189 -0.909509
O -0.001938 -1.527256 -0.017778
O 0.852162 -2.518722 -1.903576
N 0.898790 1.142770 1.202927
N 0.835509 -3.607472 0.184053
C -0.121269 -0.254927 -0.726972
C -1.572006 0.149275 -0.615128
C 0.809721 0.690581 -0.029317
C -2.170771 0.308448 0.637925
C -2.315000 0.344955 -1.789081
C 2.580133 2.041733 -0.095032
C 2.020562 2.013413 1.222196
C -3.524718 0.672256 0.727953
C -3.659834 0.708849 -1.696150
C -4.265533 0.872357 -0.446389
C 3.695154 2.802022 -0.437051
C 2.602790 2.776731 2.240256
C -4.156647 0.840459 2.070981
C 0.582380 -2.583577 -0.724040
C 4.253629 3.552093 0.597329
C 3.719642 3.539533 1.905168
C 1.006220 -4.989959 -0.337866
C -0.314117 -5.747683 -0.427952
H 0.208965 -0.395338 -1.795958
H -1.578910 0.153323 1.543862
H -1.852825 0.214091 -2.766012
H -4.241680 0.865478 -2.603659
H -5.314418 1.156255 -0.388087
H 4.097943 2.802857 -1.445679
H 2.189406 2.764742 3.247110
H -4.183435 -0.113199 2.618197
H -3.591596 1.552126 2.691477
H -5.187852 1.210856 2.014421
H 5.130426 4.168559 0.394426
H 4.200781 4.147194 2.671525
H 0.426101 -3.522764 1.117429
H 1.497410 -4.939124 -1.340260
H 1.716287 -5.508230 0.347410
H -0.817433 -5.828544 0.542317
H -1.014935 -5.262600 -1.120977
H -0.155278 -6.768749 -0.797588


%chk=000190668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190668

0 1
O 2.102768 1.120447 -0.713530
O 0.339418 -1.447971 0.004994
O 0.260182 -2.439601 -2.148519
N 0.789365 1.542034 1.147686
N 0.686813 -3.683453 -0.195677
C -0.027400 -0.124765 -0.635440
C -1.522755 0.114570 -0.515805
C 0.880410 0.875566 0.009145
C -2.124814 0.595982 0.671638
C -2.335558 -0.211284 -1.632382
C 2.798212 2.034733 0.104477
C 1.989689 2.295102 1.247793
C -3.529925 0.758316 0.763316
C -3.734323 -0.050254 -1.553066
C -4.326918 0.432302 -0.363495
C 4.050836 2.621413 -0.112815
C 2.440610 3.186988 2.243004
C -4.161644 1.272125 2.046453
C 0.413985 -2.539014 -0.903030
C 4.491885 3.513436 0.893352
C 3.702637 3.790104 2.047324
C 0.801182 -5.001106 -0.841074
C -0.380276 -5.935340 -0.505856
H 0.252266 -0.211309 -1.701204
H -1.487258 0.861791 1.521408
H -1.870872 -0.602854 -2.544448
H -4.362596 -0.298542 -2.415726
H -5.415295 0.558476 -0.308915
H 4.650072 2.404588 -1.000715
H 1.831060 3.397081 3.126259
H -4.028722 0.550030 2.874471
H -3.697867 2.222458 2.369152
H -5.244639 1.446269 1.923763
H 5.464908 4.003347 0.781207
H 4.087099 4.488337 2.798263
H 0.754686 -3.601187 0.819799
H 0.847505 -4.816496 -1.927510
H 1.757796 -5.469395 -0.538592
H -0.449263 -6.126403 0.581129
H -1.333614 -5.490752 -0.840059
H -0.252251 -6.908767 -1.013876


