%chk=000259169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259169

0 1
O -2.338363 -3.105540 0.861011
O 2.338269 3.105121 0.862601
N -4.060201 -1.498227 0.409455
N 4.060151 1.498002 0.410546
C -1.734536 -0.746483 0.798344
C 1.734449 0.746093 0.798858
C -0.676789 0.221444 0.792407
C 0.676703 -0.221833 0.792389
C -3.179811 -0.331527 0.746271
C 3.179732 0.331161 0.746775
C -1.404273 -2.088220 0.825233
C 1.404183 2.087817 0.826281
C -3.692167 -2.703942 1.198840
C 3.692035 2.703377 1.200406
C 0.954135 -1.629940 0.784463
C -0.954219 1.629554 0.785048
C -0.055516 -2.553383 0.804970
C 0.055429 2.552988 0.806063
C -5.513075 -1.171103 0.579728
C 5.512998 1.170799 0.580844
C -5.927103 -0.073318 -0.372770
C 5.927115 0.073420 -0.372075
C -6.692008 1.004536 0.095144
C 6.691981 -1.004627 0.095455
C -5.576752 -0.143297 -1.729779
C 5.576884 0.143968 -1.729084
C -7.106532 2.002747 -0.792082
C 7.106590 -2.002463 -0.792153
C -5.989966 0.858939 -2.609971
C 5.990180 -0.857896 -2.609661
C -6.757061 1.932421 -2.143734
C 6.757239 -1.931569 -2.143806
H -3.326897 0.411143 -0.078154
H -3.463778 0.170157 1.698747
H 3.326918 -0.411161 -0.077945
H 3.463596 -0.170918 1.699072
H -3.720848 -2.578443 2.299862
H -4.277979 -3.584842 0.863083
H 3.720596 2.577405 2.301377
H 4.277886 3.584419 0.865089
H 1.991518 -1.963923 0.761307
H -1.991600 1.963547 0.761918
H 0.126786 -3.626485 0.800241
H -0.126873 3.626092 0.801771
H -5.774006 -0.903202 1.628252
H -6.100215 -2.088401 0.329554
H 6.100173 2.088200 0.331127
H 5.773807 0.902445 1.629282
H -6.967676 1.070093 1.145152
H 6.967555 -1.070624 1.145461
H -4.968951 -0.978080 -2.085686
H 4.969110 0.978898 -2.084692
H -7.702526 2.837353 -0.427078
H 7.702554 -2.837219 -0.427446
H -5.713463 0.803917 -3.661895
H 5.713769 -0.802433 -3.661585
H -7.079708 2.710800 -2.832031
H 7.079950 -2.709659 -2.832401


%chk=000259169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259169

0 1
O -2.592548 -2.983665 1.297097
O 2.592606 2.983176 1.299289
N -4.167106 -1.219346 0.855751
N 4.167209 1.219143 0.856967
C -1.800483 -0.640853 1.203595
C 1.800556 0.640420 1.204189
C -0.676819 0.260107 1.208622
C 0.676891 -0.260546 1.208517
C -3.228068 -0.112074 1.119794
C 3.228150 0.111695 1.120171
C -1.559177 -2.024452 1.236377
C 1.559245 2.023997 1.237853
C -3.890922 -2.381992 1.676928
C 3.890945 2.381263 1.678864
C 0.858512 -1.686169 1.197323
C -0.858441 1.685736 1.198345
C -0.232448 -2.549650 1.215457
C 0.232516 2.549206 1.217149
C -5.576470 -0.837508 0.671976
C 5.576576 0.837437 0.672963
C -5.816113 -0.047426 -0.615739
C 5.816114 0.047675 -0.614966
C -6.796812 0.973225 -0.656704
C 6.796925 -0.972854 -0.656321
C -5.094201 -0.356703 -1.795432
C 5.093937 0.357097 -1.794457
C -7.062353 1.668717 -1.859078
C 7.062336 -1.668059 -1.858889
C -5.353894 0.339777 -2.996050
C 5.353496 -0.339101 -2.995268
C -6.341138 1.353209 -3.033450
C 6.340867 -1.352396 -3.033062
H -3.310225 0.609781 0.286009
H -3.496006 0.446452 2.055361
H 3.310385 -0.609592 0.285899
H 3.496002 -0.447464 2.055385
H -3.815430 -2.147600 2.768544
H -4.645767 -3.165117 1.508081
H 3.815336 2.146177 2.770324
H 4.645801 3.164501 1.510596
H 1.868503 -2.107623 1.186769
H -1.868431 2.107195 1.187969
H -0.107078 -3.636592 1.223651
H 0.107144 3.636142 1.226040
H -5.972852 -0.245449 1.534522
H -6.168195 -1.774934 0.635356
H 6.168249 1.774903 0.636536
H 5.973068 0.245171 1.535313
H -7.353936 1.227274 0.254471
H 7.354243 -1.227030 0.254701
H -4.325395 -1.136511 -1.749173
H 4.325007 1.136764 -1.747884
H -7.823547 2.457044 -1.877639
H 7.823623 -2.456290 -1.877754
H -4.787348 0.094096 -3.901558
H 4.786740 -0.093315 -3.900615
H -6.541886 1.893876 -3.965276
H 6.541507 -1.892847 -3.965037


