%chk=000184991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184991

0 1
O -2.534024 2.448495 0.007653
O 1.660487 -1.708438 1.972909
O 0.582859 -0.089995 -0.960946
N -1.602231 0.537415 0.805941
N 2.626699 -1.751615 -0.117237
N -0.426909 -0.164173 1.116967
C 5.111596 -1.725356 0.198504
C 3.807149 -2.556142 0.279190
C -0.368103 4.158997 0.550071
C -0.206647 2.637948 0.663288
C 0.976000 4.877040 0.722293
C 5.476260 -1.398331 -1.252366
C 6.240468 -2.503450 0.882074
C -1.518109 1.939561 0.419484
C -2.646721 -0.288127 0.188333
C 0.815123 6.391582 0.616713
C 1.676721 -1.376384 0.798605
C 0.550928 -0.491259 0.189493
C -2.506216 -0.786701 -1.115326
C -3.790507 -0.551932 0.954292
C -3.532076 -1.566197 -1.653163
C -4.808425 -1.331676 0.396867
C -4.679751 -1.839823 -0.899719
H 4.955173 -0.765497 0.753322
H 3.864812 -3.448715 -0.382317
H 3.658508 -2.935260 1.320272
H -0.819343 4.415722 -0.430974
H -1.095671 4.517418 1.305570
H 0.209943 2.371255 1.656896
H 0.535023 2.273512 -0.085820
H 1.423250 4.616633 1.701651
H 1.694571 4.524205 -0.043681
H 5.595381 -2.302601 -1.859496
H 6.425254 -0.850354 -1.305584
H 4.720113 -0.769905 -1.734181
H 6.431479 -3.465769 0.394335
H 6.014778 -2.703969 1.936061
H 7.179930 -1.938254 0.856917
H 2.596350 -1.402123 -1.077328
H 0.406525 6.687758 -0.356793
H 0.138048 6.781532 1.385748
H 1.777239 6.901930 0.737294
H -0.434276 -0.581921 2.062214
H -1.610957 -0.558717 -1.699981
H -3.888202 -0.142816 1.959095
H -3.439264 -1.957153 -2.665753
H -5.706605 -1.540012 0.977040
H -5.477029 -2.446139 -1.326729


%chk=000184991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184991

0 1
O -2.513219 2.582769 -0.172907
O 1.558050 -1.790054 1.528180
O 0.687923 -0.031687 -1.500053
N -1.595447 0.474156 0.259312
N 2.712564 -1.629571 -0.519728
N -0.426041 -0.237951 0.573963
C 5.102814 -1.617981 0.318077
C 3.873671 -2.449675 -0.143136
C -0.236244 4.053624 0.621175
C -0.152621 2.519351 0.488739
C 1.147452 4.688337 0.883361
C 5.616913 -0.683634 -0.800908
C 6.213366 -2.580394 0.798085
C -1.510574 1.896755 0.161597
C -2.779496 -0.331315 0.022254
C 1.077427 6.224884 1.017868
C 1.680544 -1.366582 0.331873
C 0.596591 -0.475325 -0.319053
C -2.626932 -1.725970 -0.200151
C -4.084119 0.233116 0.045175
C -3.760379 -2.542551 -0.395533
C -5.205827 -0.599298 -0.154789
C -5.058920 -1.987302 -0.374343
H 4.776773 -0.998260 1.177565
H 4.156867 -3.078052 -1.009937
H 3.549761 -3.113444 0.678296
H -0.678071 4.474627 -0.300952
H -0.931956 4.318660 1.440911
H 0.255557 2.072158 1.416244
H 0.555613 2.253463 -0.322077
H 1.586187 4.256702 1.806854
H 1.836856 4.421047 0.056093
H 5.945551 -1.267950 -1.682785
H 6.483265 -0.094323 -0.449820
H 4.840765 0.032341 -1.129009
H 6.552951 -3.235670 -0.027435
H 5.862630 -3.225285 1.625000
H 7.091449 -2.014904 1.158689
H 2.645113 -1.199730 -1.449517
H 0.674714 6.684496 0.095871
H 0.416087 6.519658 1.854296
H 2.075710 6.661071 1.205724
H -0.347165 -0.686956 1.498157
H -1.631962 -2.177903 -0.228428
H -4.210627 1.304952 0.191805
H -3.621786 -3.615591 -0.567712
H -6.204825 -0.149606 -0.137818
H -5.937353 -2.623001 -0.527374


