%chk=000255277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255277

0 1
O -5.807083 0.026483 0.748584
O -4.600506 -1.304510 -0.628225
N 4.105869 0.014304 0.421762
N 5.964367 -0.961555 -0.386880
N 4.625763 -0.796546 -0.409103
C -1.370453 1.677178 -0.043204
C -2.324878 0.478216 0.052392
C 0.060724 1.221728 0.050412
C -3.788220 0.929019 -0.002285
C 0.718008 1.204597 1.291570
C 0.746339 0.805540 -1.100552
C -4.712166 -0.256510 -0.038852
C 2.043104 0.784423 1.386080
C 2.072075 0.378952 -1.020147
C 2.725398 0.367298 0.225557
C -6.876412 -0.967034 0.831604
C -7.725170 -0.918017 -0.421964
C 6.379019 -2.294168 -0.910179
C 6.809970 -0.450580 0.728488
H -1.596803 2.410503 0.757463
H -1.537525 2.224021 -0.993809
H -2.133493 -0.082834 0.989382
H -2.119180 -0.239750 -0.770305
H -3.976301 1.546994 -0.907498
H -4.034035 1.585433 0.860859
H 0.190505 1.521862 2.189735
H 0.242286 0.811376 -2.065949
H 2.556425 0.776550 2.347493
H 2.600511 0.056459 -1.916960
H -6.420463 -1.959465 0.996984
H -7.411482 -0.622796 1.735246
H -8.618774 -1.545653 -0.326443
H -8.055195 0.104080 -0.646334
H -7.161615 -1.277889 -1.296235
H 5.684529 -2.634855 -1.700439
H 7.378689 -2.192629 -1.365066
H 6.414885 -3.070338 -0.129257
H 7.871985 -0.538673 0.458679
H 6.588374 0.621089 0.895107
H 6.630826 -0.974203 1.680788


%chk=000255277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255277

0 1
O -5.973797 0.165635 0.739893
O -4.637148 -1.402074 -0.358515
N 4.170672 -0.100436 0.537160
N 6.024461 -1.105594 -0.206779
N 4.736667 -0.745635 -0.465077
C -1.346326 1.591838 -0.153123
C -2.344385 0.432636 0.114747
C 0.105003 1.160333 -0.008034
C -3.811336 0.904018 -0.004739
C 0.833067 1.417045 1.181194
C 0.762274 0.453763 -1.052234
C -4.804054 -0.242574 0.086328
C 2.167201 0.984371 1.325238
C 2.093122 0.017534 -0.923437
C 2.815144 0.280601 0.276741
C -7.068080 -0.850168 0.846281
C -7.940353 -0.843190 -0.412329
C 6.724262 -1.813540 -1.279511
C 6.685267 -0.785903 1.068339
H -1.563542 2.423370 0.546196
H -1.527247 1.979757 -1.176462
H -2.163687 0.018380 1.125080
H -2.166295 -0.392719 -0.598515
H -3.959560 1.389423 -0.992176
H -4.061243 1.659974 0.759914
H 0.350774 1.964476 2.000577
H 0.216825 0.249017 -1.982770
H 2.733524 1.183999 2.241243
H 2.588989 -0.521460 -1.736464
H -6.610799 -1.841632 1.011397
H -7.628379 -0.533594 1.740620
H -8.792095 -1.536098 -0.279900
H -8.343386 0.165697 -0.607028
H -7.361663 -1.174398 -1.290826
H 6.020808 -1.933680 -2.117356
H 7.607069 -1.243595 -1.628609
H 7.062636 -2.813388 -0.946145
H 7.712885 -1.181841 1.040442
H 6.703530 0.307487 1.232807
H 6.129092 -1.229736 1.914332


