%chk=000230991.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230991

0 1
O 0.249128 2.952510 -1.267597
O 0.579857 3.141126 0.859170
O 3.354333 -1.884636 -0.865256
O 2.691985 -2.767823 0.992638
N 0.360782 2.489743 -0.146994
N 2.585509 -1.973711 0.074273
C -2.317020 1.204980 -0.067947
C -2.331359 -1.860273 0.060269
C -3.520580 0.340925 0.387853
C -3.556035 -1.004243 -0.324653
C -1.013154 0.390036 0.001353
C -1.045571 -1.024658 0.042701
C -2.518470 1.639003 -1.529999
C -2.286466 2.432255 0.861531
C -2.224686 -3.016966 -0.953896
C -2.508636 -2.429089 1.481028
C 0.255637 1.009415 -0.004709
C 0.154642 -1.736742 0.092514
C 1.485582 0.312802 0.085059
C 1.394748 -1.084665 0.089321
C 2.806963 1.065982 0.160011
C 3.397056 1.167824 -1.248792
C 3.795594 0.455275 1.157962
H -4.461311 0.893554 0.198162
H -3.478482 0.188209 1.485100
H -4.489011 -1.545261 -0.076973
H -3.586339 -0.852325 -1.422597
H -3.435910 2.227309 -1.643975
H -2.594618 0.776490 -2.202358
H -1.693707 2.262860 -1.903547
H -3.290847 2.694264 1.218493
H -1.924770 3.340897 0.364286
H -1.670617 2.270474 1.754572
H -3.178660 -3.548770 -1.047992
H -1.480117 -3.764132 -0.657921
H -1.950516 -2.656101 -1.951503
H -3.412541 -3.043508 1.554232
H -2.594545 -1.628750 2.225362
H -1.665179 -3.059993 1.781320
H 0.134720 -2.833962 0.136208
H 2.617165 2.109976 0.536422
H 3.620411 0.174821 -1.670514
H 4.337818 1.731137 -1.241768
H 2.715625 1.674531 -1.943139
H 4.434307 -0.316597 0.709032
H 3.296003 0.024177 2.033119
H 4.481879 1.226229 1.534437


%chk=000230991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230991

0 1
O 0.363225 3.085209 -1.024657
O 0.583921 3.016759 1.240571
O 3.500565 -1.830792 -0.840684
O 2.514735 -3.115240 0.759246
N 0.410066 2.452564 0.096989
N 2.555188 -2.068922 0.003162
C -2.317946 1.220979 -0.100146
C -2.361923 -1.892110 0.088592
C -3.537786 0.360114 0.347489
C -3.585149 -1.025168 -0.303219
C -1.013735 0.380989 0.025860
C -1.061317 -1.053985 0.055413
C -2.492549 1.631170 -1.598942
C -2.369814 2.506370 0.784657
C -2.288971 -3.090140 -0.902735
C -2.547009 -2.449638 1.534398
C 0.291507 0.961094 0.063168
C 0.152331 -1.769672 0.102053
C 1.542297 0.279068 0.075484
C 1.403650 -1.133005 0.070506
C 2.866252 1.064434 0.125275
C 3.451725 1.288689 -1.300523
C 3.923823 0.498640 1.110926
H -4.454173 0.926778 0.094123
H -3.523774 0.262083 1.451278
H -4.507700 -1.558318 -0.002794
H -3.627532 -0.922181 -1.404743
H -3.432892 2.202440 -1.712434
H -2.540744 0.751856 -2.264814
H -1.657949 2.266852 -1.938473
H -3.426655 2.820798 0.864162
H -1.820563 3.359670 0.357810
H -1.996494 2.320831 1.806718
H -3.279295 -3.579901 -0.952736
H -1.561125 -3.860152 -0.592218
H -2.022053 -2.752848 -1.920807
H -3.437793 -3.103815 1.573167
H -2.680780 -1.638457 2.271969
H -1.671192 -3.045378 1.848879
H 0.143624 -2.861441 0.142816
H 2.618443 2.064545 0.521060
H 3.758501 0.333084 -1.752766
H 4.336620 1.947412 -1.230088
H 2.714565 1.779303 -1.961225
H 4.440058 -0.391615 0.719693
H 3.473896 0.252090 2.089787
H 4.692518 1.273556 1.283052


