%chk=000231171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231171

0 1
O -2.993072 0.690370 0.309992
O 2.992857 -0.689603 0.312382
O -3.282922 -0.352623 -1.710934
O 3.283476 0.348876 -1.710754
N -5.019339 -0.242080 -0.163871
N 5.019257 0.241925 -0.162734
C -0.738970 -0.195162 -0.008568
C 0.738885 0.195239 -0.008755
C -1.629760 1.042576 -0.078812
C 1.629697 -1.042639 -0.076182
C -5.451324 0.176033 1.194087
C -5.972650 -0.992692 -1.026946
C 5.450903 -0.173568 1.196142
C 5.973036 0.990178 -1.027332
C -3.736432 -0.013766 -0.632902
C 3.736578 0.012411 -0.631800
C -5.208368 -0.923152 2.227029
C -6.910591 -0.044744 -1.770772
C 5.207925 0.927775 2.226781
C 6.910239 0.040184 -1.769475
H -0.990638 -0.782022 0.896983
H -0.971900 -0.857187 -0.872412
H 0.972073 0.855497 -0.873877
H 0.990295 0.783982 0.895651
H -1.390834 1.800710 0.688694
H -1.649112 1.493194 -1.086720
H 1.649397 -1.495295 -1.083170
H 1.390509 -1.799227 0.692770
H -6.529817 0.446300 1.155309
H -4.890563 1.099134 1.479425
H -6.548544 -1.700096 -0.391065
H -5.389602 -1.603296 -1.759795
H 4.889918 -1.095980 1.483254
H 6.529354 -0.444110 1.158157
H 5.390346 1.599821 -1.761263
H 6.549483 1.698362 -0.392820
H -5.742841 -1.847155 1.980690
H -4.141028 -1.173943 2.294937
H -5.534331 -0.604667 3.223430
H -7.506882 0.570169 -1.088162
H -6.349108 0.642729 -2.418891
H -7.603682 -0.602640 -2.410820
H 5.742465 1.851236 1.978553
H 4.140594 1.178778 2.294063
H 5.533787 0.611350 3.223868
H 7.505891 -0.574141 -1.085778
H 6.348230 -0.647847 -2.416547
H 7.603916 0.596407 -2.410343


%chk=000231171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231171

0 1
O -3.113455 0.501049 0.756182
O 3.113238 -0.499765 0.758597
O -3.178121 0.294126 -1.592887
O 3.178087 -0.297802 -1.590889
N -5.047129 -0.224667 -0.267361
N 5.046954 0.223913 -0.266308
C -0.736463 -0.236857 0.604345
C 0.736247 0.237647 0.603804
C -1.703575 0.955310 0.633484
C 1.703400 -0.954384 0.636713
C -5.665973 -0.314774 1.074834
C -5.846519 -0.617693 -1.450697
C 5.665730 0.316790 1.075727
C 5.846375 0.614660 -1.450375
C -3.748855 0.190096 -0.470485
C 3.748717 -0.191345 -0.468661
C -5.422625 -1.678196 1.757478
C -6.682000 0.547980 -2.020969
C 5.422459 1.681671 1.755485
C 6.682086 -0.552040 -2.018223
H -0.929287 -0.877940 1.487571
H -0.942221 -0.838418 -0.300597
H 0.942190 0.836542 -0.302860
H 0.928847 0.881340 1.485183
H -1.548058 1.581048 1.529021
H -1.600577 1.564648 -0.282289
H 1.600740 -1.566408 -0.277310
H 1.547609 -1.577520 1.534014
H -6.751398 -0.137890 0.951344
H -5.264131 0.494960 1.704944
H -6.503781 -1.456571 -1.152090
H -5.149810 -0.987003 -2.222045
H 5.263803 -0.491592 1.707513
H 6.751148 0.139569 0.952663
H 5.149673 0.982302 -2.222523
H 6.503487 1.454237 -1.153402
H -5.803784 -2.511072 1.138704
H -4.342820 -1.832258 1.924432
H -5.935111 -1.715394 2.736696
H -7.370344 0.962089 -1.261287
H -6.017692 1.357152 -2.369424
H -7.287672 0.202638 -2.879189
H 5.803649 2.513206 1.134929
H 4.342665 1.836146 1.922125
H 5.934960 1.720929 2.734614
H 7.370406 -0.964523 -1.257639
H 6.017929 -1.362002 -2.365125
H 7.287804 -0.208335 -2.877069


