%chk=000286322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286322

0 1
O -5.962875 -1.397941 2.094438
O -4.197190 -0.750811 3.151554
O -4.898538 0.033963 -3.795951
O -6.470000 -0.880516 -2.622371
N 1.488484 0.710682 1.477185
N -2.236276 0.419479 1.904962
N -4.858679 -0.885909 2.118682
N -5.375699 -0.353353 -2.740201
C 2.452693 0.240652 0.415142
C 2.696429 -1.256207 0.660357
C 3.743664 1.067100 0.530584
C 1.918082 0.572431 -0.982618
C 0.185902 -0.014525 1.499917
C -0.885373 1.027982 1.895836
C 1.945914 -2.238651 -0.000681
C 4.947310 0.550642 0.023488
C 2.395601 -0.121877 -2.105851
C 3.614605 -1.652470 1.646726
C 3.727114 2.360846 1.069922
C 1.018315 1.632350 -1.168764
C 2.131733 -3.592571 0.295795
C 6.120739 1.304874 0.087250
C 1.936484 0.202918 -3.384538
C 3.799258 -3.004925 1.942472
C 4.905117 3.111977 1.135624
C 0.559538 1.954916 -2.449241
C 3.060203 -3.980199 1.265298
C 6.104500 2.585754 0.649367
C 1.009734 1.235625 -3.559566
C -2.988240 0.211138 0.789925
C -4.285505 -0.412299 0.871229
C -2.522987 0.619171 -0.510959
C -5.057744 -0.586759 -0.295823
C -3.286700 0.437205 -1.630793
C -4.573662 -0.170901 -1.528778
H 1.941172 0.637662 2.397783
H 0.178487 -0.872364 2.205912
H -0.054239 -0.439596 0.498760
H -0.844311 1.902018 1.202867
H -0.681522 1.434531 2.913137
H 1.209084 -1.959450 -0.755167
H 4.971793 -0.441838 -0.427113
H 3.136852 -0.913060 -1.988941
H 4.197884 -0.904436 2.185987
H 2.793896 2.797994 1.428189
H 0.693343 2.225766 -0.312539
H -2.579736 0.081954 2.827948
H 1.548045 -4.346353 -0.231614
H 7.049829 0.895098 -0.306048
H 2.307731 -0.346705 -4.248633
H 4.520885 -3.299582 2.703508
H 4.883219 4.113877 1.561606
H -0.138978 2.779327 -2.583083
H 3.205917 -5.034574 1.494145
H 7.020247 3.171578 0.700437
H 0.651144 1.485205 -4.556702
H -1.535377 1.080000 -0.600902
H -6.054300 -1.060914 -0.219920
H -2.932120 0.747870 -2.623435


%chk=000286322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286322

0 1
O -6.073325 -1.531969 2.215731
O -4.139484 -0.936840 3.257430
O -5.295220 0.362012 -3.706491
O -6.874029 -0.686442 -2.427919
N 1.469815 0.678617 1.307856
N -2.252282 0.290970 1.915540
N -4.901709 -0.998436 2.187513
N -5.720254 -0.123953 -2.583221
C 2.519596 0.204003 0.338137
C 2.796049 -1.301722 0.626734
C 3.789141 1.081505 0.536768
C 2.047328 0.492376 -1.115315
C 0.172578 -0.026965 1.298426
C -0.916221 0.903358 1.895930
C 2.042287 -2.330527 0.003187
C 5.046803 0.640799 0.049630
C 2.574817 -0.221103 -2.221224
C 3.677624 -1.669340 1.679375
C 3.702580 2.370939 1.117584
C 1.170324 1.577069 -1.370034
C 2.182987 -3.680159 0.397203
C 6.190384 1.458938 0.156123
C 2.210902 0.120895 -3.542170
C 3.819971 -3.015695 2.076872
C 4.849709 3.189599 1.231985
C 0.803104 1.920695 -2.689368
C 3.074771 -4.031936 1.434526
C 6.099432 2.738248 0.753357
C 1.317811 1.189493 -3.784494
C -3.084207 0.177233 0.836544
C -4.395582 -0.442640 0.932413
C -2.706695 0.679846 -0.460522
C -5.251515 -0.537309 -0.185058
C -3.552389 0.586030 -1.560216
C -4.829604 -0.025308 -1.417080
H 1.871826 0.719902 2.255482
H 0.181704 -0.992096 1.850452
H -0.085382 -0.261831 0.251903
H -0.928168 1.854380 1.332103
H -0.657472 1.153974 2.940574
H 1.342166 -2.083127 -0.801927
H 5.134915 -0.348569 -0.412525
H 3.276356 -1.045516 -2.055639
H 4.265347 -0.896154 2.187183
H 2.730615 2.736955 1.462715
H 0.806310 2.162140 -0.518002
H -2.630501 -0.119073 2.786695
H 1.592528 -4.454437 -0.105522
H 7.151803 1.099149 -0.227321
H 2.628700 -0.445206 -4.382216
H 4.512757 -3.271881 2.886451
H 4.763320 4.183031 1.686847
H 0.130147 2.768314 -2.864980
H 3.185961 -5.078185 1.739787
H 6.987657 3.374184 0.837398
H 1.036446 1.454120 -4.809658
H -1.724907 1.141074 -0.589250
H -6.232852 -1.007029 -0.080192
H -3.253877 0.967396 -2.540312


