%chk=000179638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179638

0 1
O 1.337227 -1.210478 -0.098234
O 6.341445 -0.955646 0.205105
O 5.732001 0.988906 -0.725564
N -1.296820 -0.733191 -0.063116
N 0.559760 0.932662 0.071543
N -1.809666 1.519486 0.117682
C -2.703042 -0.631890 -0.054812
C -3.005595 0.773306 0.057917
C -0.817965 0.596215 0.043371
C 2.986334 0.564217 0.035749
C 1.593778 -0.023171 -0.002981
C 4.028939 -0.544849 0.164533
C -3.715887 -1.601047 -0.132386
C -4.345791 1.201513 0.092352
C -5.024699 -1.145740 -0.095758
C -5.334528 0.234497 0.014925
C 5.395437 -0.037385 -0.184754
H 3.175629 1.158431 -0.892791
H 3.097797 1.292602 0.868793
H -0.730135 -1.571997 -0.131077
H 0.751463 1.939343 0.143206
H 3.770354 -1.410785 -0.497481
H 4.025782 -0.987657 1.187213
H -3.476917 -2.656518 -0.217177
H -4.573841 2.262383 0.177251
H -5.845846 -1.859864 -0.153041
H -6.382834 0.530573 0.038642
H 7.269720 -0.672718 -0.020210


%chk=000179638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179638

0 1
O 1.347478 -1.269423 -0.329713
O 6.392481 -0.865680 0.496100
O 5.718432 0.763179 -1.014874
N -1.307279 -0.714572 -0.164312
N 0.542298 0.875902 0.081157
N -1.783492 1.493705 0.254331
C -2.708603 -0.630328 -0.111050
C -2.989263 0.758456 0.150704
C -0.826896 0.571189 0.059150
C 2.979467 0.563392 -0.120845
C 1.574668 -0.032689 -0.122501
C 4.028698 -0.480050 0.300093
C -3.726816 -1.592305 -0.260171
C -4.327358 1.197594 0.265780
C -5.056759 -1.131905 -0.141116
C -5.351533 0.238899 0.117175
C 5.420884 -0.098161 -0.157026
H 3.217084 0.908067 -1.147193
H 3.030052 1.458861 0.525802
H -0.682131 -1.510981 -0.325371
H 0.748665 1.863338 0.251369
H 3.766699 -1.455878 -0.154705
H 4.037845 -0.648255 1.390819
H -3.507698 -2.646241 -0.459080
H -4.548869 2.250481 0.463762
H -5.881600 -1.844578 -0.250171
H -6.398156 0.551139 0.201198
H 7.293802 -0.621958 0.149589


