%chk=000216800.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216800

0 1
O 4.681491 0.922083 -0.308786
O -2.541137 -0.077374 -1.198554
O 4.010782 -1.810748 0.205138
O -4.204964 -2.634973 -0.342549
N -1.543835 1.613255 -0.282759
N -1.525332 0.815141 -1.326569
N -4.329465 -0.439155 0.383946
C 0.339322 2.441883 1.125664
C -0.537837 2.694269 -0.110289
C 1.294790 1.299743 0.905169
C 2.578778 1.557490 0.399185
C 0.904227 -0.010552 1.189254
C 3.466330 0.499524 0.174311
C 3.059870 -0.836755 0.457503
C 1.784041 -1.078085 0.964507
C -2.556169 1.316653 0.605170
C -3.269068 0.200731 0.070300
C 5.673355 -0.082541 -0.641828
C 3.590440 -3.192804 0.322956
C -4.884197 -1.669660 -0.067088
C -6.382520 -1.655285 -0.050749
H -0.288747 2.252301 2.023211
H 0.897610 3.374855 1.360416
H 0.100621 2.754831 -1.029702
H -1.081173 3.664801 -0.018912
H 2.908045 2.570142 0.173214
H -0.090662 -0.219710 1.581647
H 1.452643 -2.090491 1.187473
H -2.771833 1.826652 1.523107
H 5.289452 -0.745064 -1.424349
H 5.947073 -0.650149 0.254458
H 6.504395 0.534027 -1.002001
H 3.333158 -3.423270 1.360714
H 4.498020 -3.726951 0.014645
H 2.761063 -3.401176 -0.359834
H -6.784767 -2.647615 -0.299411
H -6.787606 -0.929052 -0.769647
H -6.770095 -1.366073 0.938739


%chk=000216800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216800

0 1
O 4.644692 0.678778 -0.258950
O -2.180367 0.112754 -1.359442
O 3.816039 -1.965097 0.439414
O -3.622289 -2.543093 -0.759971
N -1.414901 1.845039 -0.239365
N -1.155788 1.119867 -1.368512
N -4.139938 -0.395270 0.087794
C 0.390190 2.596102 1.346876
C -0.468938 2.934630 0.094632
C 1.282697 1.381807 1.147318
C 2.551487 1.517147 0.532355
C 0.846487 0.086895 1.510782
C 3.378668 0.403627 0.281338
C 2.930277 -0.900217 0.667694
C 1.659005 -1.042323 1.270697
C -2.489992 1.426502 0.492221
C -3.071605 0.302527 -0.162212
C 5.109383 -0.128103 -1.407947
C 3.378390 -3.307681 0.837514
C -4.469828 -1.686479 -0.366996
C -5.957598 -1.986457 -0.259475
H -0.279231 2.451210 2.215277
H 0.997266 3.496958 1.556883
H 0.171296 3.065870 -0.792986
H -1.054733 3.856529 0.256805
H 2.936974 2.498622 0.232602
H -0.132816 -0.051474 1.983675
H 1.294669 -2.030958 1.563784
H -2.816850 1.914008 1.402887
H 4.384438 -0.063342 -2.242110
H 5.256485 -1.180556 -1.119219
H 6.063344 0.334026 -1.704341
H 3.194761 -3.360208 1.927723
H 4.214105 -3.970515 0.569716
H 2.467033 -3.612620 0.288746
H -6.164816 -3.000512 -0.632742
H -6.539003 -1.245922 -0.837790
H -6.282897 -1.901171 0.793027


