%chk=000186313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186313

0 1
O 4.620056 1.436744 0.358232
O -4.919551 1.035951 0.565275
O 1.309564 -4.222461 0.747260
O 1.584955 -4.480830 -1.382131
N 1.076061 -3.945150 -0.415112
C -0.021816 -1.814530 0.418208
C 1.181198 -0.896734 0.358586
C -1.332152 -1.058277 0.374147
C 0.053610 -2.870299 -0.707577
C 2.335672 -1.250414 1.089778
C -1.907611 -0.650299 1.596948
C 1.183399 0.278584 -0.397476
C -1.978820 -0.738866 -0.823603
C 3.465960 -0.448093 1.065309
C -3.105327 0.048044 1.622357
C 2.310542 1.107657 -0.440531
C -3.190787 -0.037948 -0.827508
C 3.442279 0.735852 0.293644
C -3.744277 0.348481 0.398092
C 4.727039 2.684379 -0.398761
C -5.682514 1.406478 -0.627498
C 6.147198 3.148777 -0.077771
C -6.891372 2.132039 -0.037930
C 6.465583 4.459598 -0.785385
C -7.830341 2.609606 -1.138135
H 0.013907 -2.376673 1.398804
H 0.306876 -2.398843 -1.684805
H -0.934997 -3.368591 -0.839282
H 2.342201 -2.173567 1.677314
H -1.402089 -0.882648 2.536222
H 0.296305 0.570483 -0.961304
H -1.545110 -1.028567 -1.780631
H 4.365209 -0.706155 1.620633
H -3.562680 0.369965 2.555728
H 2.287047 2.015622 -1.031905
H -3.674625 0.193419 -1.769694
H 4.580893 2.461036 -1.468228
H 3.955421 3.383246 -0.036516
H -5.056184 2.059293 -1.257151
H -5.957346 0.486959 -1.169652
H 6.262766 3.256980 1.020543
H 6.870329 2.359101 -0.369421
H -6.546233 2.985473 0.581757
H -7.422009 1.457868 0.665944
H 6.398052 4.363203 -1.875546
H 5.787218 5.265057 -0.479921
H 7.485786 4.790801 -0.553032
H -7.337375 3.310724 -1.822034
H -8.216759 1.776524 -1.737343
H -8.697749 3.130200 -0.712296


%chk=000186313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186313

0 1
O 4.718752 1.406969 0.517550
O -4.938631 1.173356 0.661477
O 1.342011 -4.409102 0.469766
O 1.870637 -4.130489 -1.729539
N 1.170809 -3.866466 -0.685217
C -0.036902 -1.881411 0.359148
C 1.197979 -0.965522 0.395428
C -1.358159 -1.103330 0.361456
C 0.030303 -2.861797 -0.839116
C 2.312691 -1.298631 1.211069
C -1.806824 -0.532416 1.584581
C 1.273582 0.205333 -0.395538
C -2.145795 -0.888552 -0.793601
C 3.465274 -0.492548 1.231416
C -2.993418 0.214198 1.654293
C 2.423860 1.024286 -0.390506
C -3.346242 -0.139446 -0.744769
C 3.527975 0.671964 0.426848
C -3.772551 0.415638 0.485510
C 4.844829 2.624669 -0.305225
C -5.790634 1.415394 -0.518516
C 6.229508 3.214391 -0.026991
C -6.978605 2.259558 -0.050908
C 6.471853 4.505242 -0.839398
C -7.944996 2.575595 -1.213227
H -0.011635 -2.513855 1.267554
H 0.216632 -2.362730 -1.801866
H -0.890088 -3.471669 -0.899628
H 2.277833 -2.201871 1.831259
H -1.209675 -0.675585 2.493095
H 0.414825 0.500686 -1.009891
H -1.840451 -1.303547 -1.761311
H 4.326400 -0.745211 1.857388
H -3.339853 0.648973 2.596785
H 2.445071 1.924967 -1.011043
H -3.928906 -0.000500 -1.660108
H 4.733472 2.362760 -1.378697
H 4.044817 3.344745 -0.031238
H -5.205688 1.949530 -1.297036
H -6.132575 0.444605 -0.935715
H 6.318196 3.420069 1.055931
H 6.995611 2.456091 -0.273722
H -6.596245 3.196011 0.396013
H -7.509205 1.714160 0.751544
H 6.409133 4.315218 -1.927466
H 5.729065 5.285767 -0.588322
H 7.474598 4.916608 -0.628538
H -7.440476 3.147674 -2.014484
H -8.352391 1.650288 -1.662419
H -8.798368 3.179131 -0.857473


