%chk=000267012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267012

0 1
O 5.274108 1.129905 0.361985
O 2.625964 -3.356396 0.211215
O -1.276877 1.975063 0.003178
O -3.474891 -1.013682 -1.285877
N 3.119035 0.441981 0.900815
N 1.287190 -1.755555 -0.801020
N 2.574624 1.674729 0.640421
N 0.163158 -2.233548 -0.172660
C 4.985338 -1.906720 -0.545466
C 4.916365 -1.213051 0.820664
C 3.676046 -1.828816 -1.342575
C 4.514227 0.243888 0.666996
C 2.524585 -2.430286 -0.556999
C 0.692596 3.141274 0.478620
C -2.185693 -2.237709 0.246013
C -0.674987 3.212665 0.097632
C -3.483175 -1.895071 -0.218762
C 1.284492 1.828808 0.773931
C -0.999207 -1.700142 -0.438213
C 1.415507 4.336346 0.564403
C -2.094842 -3.101296 1.346409
C -1.301790 4.434317 -0.163405
C -4.640384 -2.396165 0.383279
C 0.798233 5.565372 0.298779
C -3.246944 -3.605341 1.961069
C -0.549802 5.610693 -0.057885
C -4.509339 -3.255782 1.480287
C -2.691662 1.929666 -0.299956
C -4.723607 -0.789498 -1.985030
H 5.256190 -2.973278 -0.385173
H 5.802208 -1.460152 -1.150675
H 5.917490 -1.245395 1.305024
H 4.250017 -1.782395 1.502546
H 3.486683 -0.778280 -1.647599
H 3.786859 -2.395781 -2.292936
H 2.534386 -0.338936 1.231309
H 1.233767 -0.987259 -1.481195
H 0.557761 1.057326 1.082786
H -1.199944 -0.877095 -1.145122
H 2.474048 4.301726 0.840810
H -1.105816 -3.388144 1.720340
H -2.347468 4.484896 -0.445216
H -5.627864 -2.132413 0.020195
H 1.376329 6.483864 0.372220
H -3.152201 -4.275139 2.813692
H -1.027781 6.569402 -0.259485
H -5.404849 -3.652485 1.959242
H -3.264439 2.392523 0.507746
H -2.875478 0.842342 -0.346289
H -2.891613 2.398495 -1.266494
H -5.125903 -1.735871 -2.359853
H -4.404971 -0.145699 -2.815053
H -5.435377 -0.275102 -1.333570


%chk=000267012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267012

0 1
O 5.147789 1.083159 -0.558949
O 2.818712 -3.018852 0.871279
O -1.345193 1.469260 1.722558
O -2.920311 -0.582679 -2.051913
N 3.298466 0.490542 0.772213
N 1.553814 -2.007055 -0.827765
N 2.491097 1.531423 0.340212
N 0.340571 -2.165710 -0.175717
C 5.294272 -2.065479 -0.368852
C 5.243073 -0.992811 0.760048
C 3.973471 -2.221681 -1.161234
C 4.598559 0.304937 0.265462
C 2.754681 -2.468455 -0.261911
C 0.316469 2.592563 0.409202
C -2.048046 -1.785610 -0.168496
C -1.033210 2.550115 0.885653
C -3.185251 -1.223109 -0.831788
C 1.255120 1.539284 0.804907
C -0.721043 -1.664265 -0.777362
C 0.700237 3.663791 -0.441899
C -2.249141 -2.454337 1.068666
C -1.960864 3.552493 0.514176
C -4.477287 -1.328826 -0.263095
C -0.219478 4.663685 -0.813257
C -3.533241 -2.564095 1.637378
C -1.549712 4.605712 -0.333177
C -4.646341 -2.000257 0.968956
C -2.724776 1.335209 2.197149
C -4.041008 0.032918 -2.766957
H 5.564286 -3.032200 0.092027
H 6.088953 -1.797716 -1.088574
H 6.274484 -0.759582 1.077503
H 4.702114 -1.409788 1.627889
H 3.809235 -1.325989 -1.792266
H 4.072009 -3.083332 -1.851926
H 2.926118 -0.215306 1.428185
H 1.597102 -1.509961 -1.731592
H 0.869254 0.765923 1.493527
H -0.667628 -1.134998 -1.745994
H 1.736235 3.684084 -0.795385
H -1.370714 -2.883618 1.561165
H -2.990587 3.523574 0.882184
H -5.348791 -0.906680 -0.771761
H 0.094917 5.483708 -1.466960
H -3.669869 -3.090141 2.587779
H -2.270335 5.382296 -0.613442
H -5.650074 -2.087126 1.399867
H -3.013558 2.194226 2.833447
H -2.734723 0.407475 2.786529
H -3.430314 1.236414 1.350313
H -4.795025 -0.723409 -3.058369
H -3.594763 0.479560 -3.667183
H -4.519453 0.823517 -2.157356


