%chk=000212429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212429

0 1
O 5.078289 0.516128 -0.089565
O -2.515763 -1.856237 -0.241601
O 4.644448 -1.299230 1.222419
O -4.360708 -1.241595 -1.449081
N 0.636442 0.871330 0.430748
N 3.360116 0.649064 1.425919
N -2.990889 0.360186 -0.459462
C 1.097983 -0.392990 1.095242
C 1.768674 1.513303 -0.315859
C 2.230688 -0.067256 2.088281
C 2.902428 1.850736 0.674720
C -0.522196 0.601374 -0.479208
C -1.802710 0.617764 0.388068
C -3.822934 1.505609 -0.914527
C 4.358235 -0.172873 0.861895
C -4.795010 1.962027 0.185013
C -3.394749 -0.929818 -0.774786
C -5.620738 3.167634 -0.281581
C 6.311582 -0.136147 -0.596689
C -6.589946 3.635373 0.801338
C -2.847701 -3.283638 -0.474095
C 5.903505 -1.173165 -1.627974
C 7.085076 1.041050 -1.165829
C -3.953509 -3.675040 0.489828
C -1.516559 -3.966531 -0.207355
H 1.435541 -1.167302 0.372349
H 0.235848 -0.828086 1.647760
H 1.392992 2.454393 -0.772737
H 2.161994 0.882675 -1.142055
H 1.856912 0.597982 2.900288
H 2.609969 -0.999940 2.565660
H 3.763750 2.308481 0.137640
H 2.545658 2.589640 1.429556
H -0.589968 1.391999 -1.255667
H -0.448023 -0.366467 -1.022683
H -1.908400 1.597644 0.902436
H -1.739120 -0.161984 1.183649
H -3.147317 2.334697 -1.217301
H -4.393002 1.193323 -1.823497
H -4.242984 2.213457 1.110311
H -5.468267 1.124475 0.458706
H -6.186436 2.904424 -1.198000
H -4.949328 4.001374 -0.566247
H 6.820670 -0.599725 0.277874
H -6.063652 3.940089 1.713034
H -7.180020 4.493735 0.460384
H -7.295826 2.843903 1.080106
H -3.171183 -3.376105 -1.535295
H 5.349863 -1.996827 -1.150971
H 6.775109 -1.608442 -2.128772
H 5.252321 -0.746538 -2.399709
H 7.283003 1.795606 -0.392849
H 8.046676 0.720163 -1.581728
H 6.524483 1.545048 -1.963867
H -3.704640 -3.410820 1.524476
H -4.155476 -4.751045 0.458166
H -4.890644 -3.154757 0.237488
H -1.164165 -3.777485 0.815115
H -1.595127 -5.051781 -0.338413
H -0.737166 -3.597560 -0.886068


%chk=000212429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212429

0 1
O 5.469749 0.679477 -0.122833
O -2.846414 -1.937702 -0.130862
O 5.029064 -1.153954 1.291855
O -4.822624 -1.151078 -1.154278
N 0.580967 0.684346 0.055539
N 3.350316 0.387361 0.732008
N -3.197846 0.329925 -0.328257
C 1.075263 -0.573177 0.676838
C 1.633800 1.287807 -0.800833
C 2.320100 -0.294342 1.539261
C 2.891259 1.603566 0.034542
C -0.713599 0.507212 -0.644097
C -1.901725 0.533956 0.350141
C -3.981303 1.511520 -0.754629
C 4.633997 -0.116701 0.686935
C -4.952576 2.021878 0.334727
C -3.718457 -0.922719 -0.582915
C -5.718803 3.286443 -0.114497
C 6.883984 0.192731 -0.271721
C -6.710190 3.791700 0.955925
C -3.343242 -3.345628 -0.303418
C 6.930550 -0.915145 -1.334267
C 7.697715 1.436936 -0.637155
C -4.317551 -3.683698 0.834572
C -2.082566 -4.214038 -0.319426
H 1.332160 -1.334028 -0.103466
H 0.282307 -1.002392 1.314041
H 1.244038 2.227787 -1.233358
H 1.921327 0.610953 -1.645549
H 2.034874 0.353324 2.392607
H 2.752330 -1.230151 1.928194
H 3.702903 1.980000 -0.604002
H 2.634339 2.377869 0.785973
H -0.836236 1.336327 -1.366965
H -0.754103 -0.446020 -1.223039
H -1.920454 1.513213 0.861330
H -1.769993 -0.245742 1.117131
H -3.268306 2.312626 -1.031891
H -4.554768 1.235956 -1.657199
H -4.388712 2.240187 1.264750
H -5.670848 1.213933 0.572525
H -6.268180 3.065964 -1.052218
H -4.994490 4.091342 -0.357445
H 7.190644 -0.216030 0.708881
H -6.184853 4.047257 1.895476
H -7.249339 4.694010 0.613750
H -7.462878 3.016763 1.192744
H -3.872686 -3.385457 -1.273518
H 6.316666 -1.775726 -1.020355
H 7.970737 -1.264458 -1.471161
H 6.559857 -0.538478 -2.304578
H 7.605182 2.209836 0.144905
H 8.765050 1.170518 -0.742443
H 7.349875 1.863812 -1.594707
H -3.819527 -3.582098 1.815630
H -4.673599 -4.725485 0.731496
H -5.194489 -3.015808 0.802407
H -1.535201 -4.125411 0.636035
H -2.357442 -5.274301 -0.465396
H -1.407954 -3.911465 -1.138742


