%chk=000209719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209719

1 1
O -1.169866 -1.477178 0.243813
N 3.551562 0.178723 -0.108181
N -2.535342 -1.410903 0.325941
C 0.761297 -0.029648 0.072311
C -0.674203 -0.149328 0.165913
C -2.921998 -0.125159 0.305669
C -4.338865 0.327757 0.378334
C -1.739661 0.719480 0.202423
C 1.390928 1.229198 -0.007485
C 1.579270 -1.183204 0.058429
C 2.777876 1.318282 -0.096725
C 2.959787 -1.067640 -0.031270
C -4.775631 1.002541 -0.917789
C 5.025147 0.275880 -0.202879
H -5.010129 -0.537449 0.596993
H -4.465242 1.021606 1.239832
H -1.756356 1.793914 0.164951
H 0.793033 2.151617 0.000179
H 1.115353 -2.183524 0.119492
H 3.281332 2.299290 -0.159647
H 3.610846 -1.960050 -0.043147
H -4.187606 1.899232 -1.141987
H -5.829212 1.312988 -0.859189
H -4.693884 0.324603 -1.778256
H 5.406732 -0.241017 -1.109648
H 5.379207 1.324909 -0.259164
H 5.517927 -0.182523 0.681486


%chk=000209719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209719

1 1
O -1.162848 -1.487168 0.243518
N 3.579963 0.179301 -0.106880
N -2.619631 -1.423104 0.344038
C 0.769346 -0.038298 0.072810
C -0.669770 -0.172685 0.166171
C -2.925443 -0.094514 0.313795
C -4.367720 0.334413 0.377410
C -1.741179 0.716085 0.204716
C 1.409516 1.233075 -0.007330
C 1.604204 -1.198942 0.058142
C 2.799600 1.315658 -0.095106
C 2.987009 -1.065970 -0.031396
C -4.843532 1.014077 -0.933856
C 5.069172 0.273867 -0.199925
H -4.987709 -0.554432 0.587498
H -4.499654 1.031395 1.226568
H -1.713191 1.802646 0.165465
H 0.832747 2.160783 -0.001245
H 1.160807 -2.195737 0.117317
H 3.321470 2.272558 -0.157294
H 3.656834 -1.928727 -0.045418
H -4.256813 1.921719 -1.163153
H -5.900621 1.313076 -0.836191
H -4.762382 0.323861 -1.790613
H 5.417136 -0.241647 -1.109549
H 5.368955 1.330445 -0.248556
H 5.526037 -0.189340 0.689462


