%chk=000200790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200790

0 1
O -3.899998 -3.078345 -0.539785
O -4.215622 -0.196522 -0.571196
O 6.916904 1.958490 0.162740
N -0.477650 -1.927260 0.118311
N 2.334943 -1.268299 -0.059256
C 0.495674 -2.387296 1.165043
C 0.215845 -1.829380 -1.209898
C 1.647953 -1.368726 1.271443
C 1.367299 -0.809829 -1.111141
C -1.651257 -2.851303 0.045819
C -2.850223 -2.091600 -0.557033
C 3.507348 -0.402140 0.006939
C -3.253000 -0.876305 0.290760
C 4.738509 -1.013346 -0.270288
C 3.452885 0.970931 0.325428
C 5.921802 -0.268947 -0.233321
C 4.617715 1.724965 0.366536
C 5.847595 1.091615 0.084700
C -4.779464 0.976089 -0.119454
C -4.504750 1.585223 1.110248
C -5.693682 1.529146 -1.040837
C -5.168014 2.779216 1.418661
C -6.335710 2.715978 -0.704309
C 8.236599 1.429486 -0.108549
C -6.077305 3.344841 0.523709
H 0.909060 -3.397907 0.953197
H -0.035203 -2.441068 2.139221
H 0.611754 -2.807814 -1.561048
H -0.519276 -1.478913 -1.965435
H 1.255800 -0.392974 1.631303
H 2.391819 -1.723216 2.017091
H 1.909179 -0.762890 -2.080266
H 0.956779 0.203566 -0.911074
H -1.926881 -3.205586 1.064139
H -1.474686 -3.772825 -0.552019
H -2.679137 -1.788500 -1.615004
H -3.751972 -1.162412 1.230366
H -2.394301 -0.206710 0.483075
H 4.768493 -2.076483 -0.516134
H 2.494871 1.443824 0.539717
H -4.748881 -2.663360 -0.809567
H 6.868531 -0.751855 -0.449591
H 4.605745 2.785296 0.608642
H -3.799740 1.158817 1.814437
H -5.875807 1.025106 -1.985778
H -4.967429 3.268783 2.371748
H -7.046030 3.161914 -1.400654
H 8.865890 2.319485 0.023471
H 8.494007 0.656324 0.620838
H 8.294093 1.058362 -1.135712
H -6.586272 4.271555 0.774170


%chk=000200790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200790

0 1
O -3.882691 -2.926222 -0.997239
O -4.481164 -0.198525 -0.576965
O 7.514106 1.511251 -0.233832
N -0.423333 -1.756885 -0.179271
N 2.335505 -0.870544 -0.237619
C 0.545031 -2.217208 0.846582
C 0.286996 -1.539131 -1.464118
C 1.643885 -1.160495 1.040987
C 1.399351 -0.486514 -1.310594
C -1.602154 -2.647349 -0.310195
C -2.834166 -1.906040 -0.860754
C 3.623601 -0.260165 -0.198945
C -3.289940 -0.783313 0.072970
C 4.617356 -0.713751 0.713992
C 3.989289 0.792010 -1.093197
C 5.910882 -0.151383 0.742587
C 5.283073 1.344825 -1.080927
C 6.253672 0.882360 -0.163075
C -5.139603 0.859154 0.076550
C -4.724906 1.405144 1.316315
C -6.279036 1.374237 -0.589892
C -5.463630 2.470954 1.881787
C -7.003304 2.435922 -0.012754
C 8.544869 1.040727 0.689449
C -6.601215 2.991593 1.227318
H 1.019592 -3.189193 0.559493
H 0.009755 -2.362786 1.803088
H 0.741296 -2.492880 -1.834127
H -0.430979 -1.187493 -2.226589
H 1.175594 -0.233207 1.447520
H 2.369237 -1.525565 1.784837
H 1.951600 -0.427091 -2.264997
H 0.933938 0.509541 -1.115696
H -1.861704 -3.045253 0.688931
H -1.409401 -3.526982 -0.968870
H -2.613804 -1.459997 -1.854388
H -3.571854 -1.195015 1.063620
H -2.490737 -0.027504 0.187749
H 4.396024 -1.539759 1.397863
H 3.259119 1.201618 -1.796779
H -4.726335 -2.451749 -1.216634
H 6.639879 -0.539242 1.460925
H 5.554775 2.150348 -1.770496
H -3.844852 1.019164 1.838761
H -6.574095 0.934883 -1.548035
H -5.141872 2.893363 2.840466
H -7.883511 2.831171 -0.531990
H 9.433151 1.650836 0.467386
H 8.245091 1.192520 1.745800
H 8.778815 -0.030089 0.524840
H -7.166396 3.816908 1.672562


