%chk=000239721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239721

0 1
O 0.333691 1.569306 0.796448
O 4.779752 -2.240028 -0.404917
O 2.842205 -2.808157 0.376515
O -4.879209 -1.237631 -1.322854
O -5.649937 -0.136572 0.372805
N 3.643964 -1.991218 -0.040570
N -4.745774 -0.491956 -0.365832
C 1.536378 1.098924 0.251669
C -0.864528 0.973691 0.445646
C 1.916885 -0.241233 0.343088
C 3.198912 -0.571850 -0.115500
C -1.041766 0.112845 -0.646275
C -1.927932 1.371548 1.282144
C 2.380138 2.095644 -0.264791
C -3.393845 0.018067 -0.083074
C -2.323095 -0.367719 -0.907483
C -3.199030 0.887621 1.010167
C 4.070591 0.392997 -0.635000
C 3.652913 1.728315 -0.702554
H 1.253835 -1.005515 0.763664
H -0.209586 -0.169364 -1.289200
H -1.737004 2.044777 2.118619
H 2.035690 3.130882 -0.306895
H -2.505935 -1.043634 -1.752928
H -4.056034 1.169619 1.635274
H 5.068424 0.098829 -0.981045
H 4.329798 2.486411 -1.103923


%chk=000239721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239721

0 1
O 0.323612 1.725331 0.587647
O 4.750497 -2.337623 -0.358594
O 2.633677 -2.818213 0.342449
O -4.933795 -1.422235 -1.255464
O -5.703979 -0.306119 0.581095
N 3.549329 -1.993851 -0.040643
N -4.768584 -0.626096 -0.251149
C 1.567144 1.205758 0.155567
C -0.894935 1.058006 0.349782
C 1.888396 -0.164190 0.240054
C 3.195376 -0.549863 -0.123287
C -1.110779 0.190428 -0.750000
C -1.941876 1.383241 1.245396
C 2.523087 2.160854 -0.259999
C -3.426649 -0.041769 -0.042780
C -2.388548 -0.363740 -0.945081
C -3.217778 0.830729 1.050439
C 4.175651 0.371218 -0.549853
C 3.823303 1.736310 -0.608641
H 1.178233 -0.918311 0.589456
H -0.304304 -0.036093 -1.452657
H -1.735535 2.062772 2.076497
H 2.235611 3.215357 -0.297191
H -2.595840 -1.032362 -1.784572
H -4.048546 1.055990 1.723785
H 5.172868 0.014667 -0.818141
H 4.563866 2.474403 -0.930917


