%chk=000184635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184635

0 1
O -1.982057 1.858602 1.456101
O -2.542651 -2.205483 -2.003004
O 2.183259 3.134641 0.740524
N -1.011393 0.557408 -0.134198
N -3.561151 -0.523736 -0.861897
N 2.726167 0.342654 0.483639
C -1.031531 -0.605969 -1.059062
C 0.326808 1.174097 0.173728
C -3.503212 0.502638 0.212152
C -0.136720 -1.763587 -0.536612
C 1.379691 0.110133 0.160799
C -2.111315 1.000355 0.591489
C -4.266421 -0.106353 1.411344
C -2.422752 -1.200373 -1.322049
C 1.191514 -1.230369 -0.160286
C -4.830697 -1.301022 -0.683272
C 0.642879 2.296626 -0.839596
C -5.215018 -1.157709 0.804529
C 1.120320 3.588067 -0.145962
C 2.463176 -1.886249 -0.037276
C 3.410487 -0.876797 0.364991
C 0.025505 4.250058 0.684986
C 1.743323 4.563637 -1.148254
C 2.909841 -3.208909 -0.221843
C 4.772230 -1.179305 0.577997
C 4.246182 -3.496559 -0.011267
C 5.167635 -2.489582 0.385296
H -0.621602 -0.251750 -2.049363
H 0.262354 1.616191 1.217743
H -4.062519 1.405388 -0.173298
H -0.056398 -2.545218 -1.324229
H -0.606866 -2.261819 0.337875
H -4.812045 0.674852 1.968149
H -3.571579 -0.566553 2.137212
H -0.248069 2.531322 -1.454653
H 1.412722 1.950924 -1.558575
H -4.689876 -2.359387 -0.993553
H -5.599364 -0.861132 -1.352689
H -5.120581 -2.122427 1.332953
H -6.269608 -0.850039 0.908952
H 3.108360 1.248491 0.719317
H 0.411323 5.037007 1.338251
H -0.496260 3.517878 1.331131
H -0.748438 4.699563 0.053144
H 2.657934 4.144992 -1.587155
H 2.019416 5.512643 -0.676776
H 1.057675 4.798246 -1.969124
H 2.204283 -3.978861 -0.524991
H 5.471505 -0.407907 0.881405
H 2.469888 3.843837 1.339679
H 4.614520 -4.510957 -0.148086
H 6.208828 -2.770599 0.537986


%chk=000184635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184635

0 1
O -2.081843 1.919391 1.367551
O -2.493610 -2.556415 -1.810440
O 2.374518 3.042971 0.713269
N -1.021550 0.358918 -0.005464
N -3.503408 -0.854707 -0.609437
N 2.737036 0.346796 0.396185
C -1.029327 -0.822194 -0.925797
C 0.287714 1.041202 0.284385
C -3.509400 0.440209 0.099780
C -0.075041 -1.939377 -0.400842
C 1.393130 0.024882 0.192212
C -2.142913 0.934124 0.559538
C -4.559231 0.206536 1.213022
C -2.410790 -1.462747 -1.165847
C 1.264375 -1.331266 -0.098209
C -4.833286 -1.517899 -0.537638
C 0.502406 2.277104 -0.661443
C -5.632232 -0.639054 0.472283
C 1.149864 3.529600 -0.010786
C 2.598308 -1.896586 -0.065922
C 3.503437 -0.811779 0.243771
C 0.215864 4.218264 1.006537
C 1.601414 4.516118 -1.110084
C 3.126604 -3.197642 -0.275128
C 4.898200 -1.006895 0.346719
C 4.518368 -3.393209 -0.173946
C 5.394501 -2.309922 0.133773
H -0.636870 -0.493613 -1.910758
H 0.200680 1.416979 1.321353
H -3.896405 1.234037 -0.579333
H -0.020197 -2.720039 -1.179200
H -0.530047 -2.412380 0.492862
H -4.948066 1.151746 1.620801
H -4.100128 -0.365049 2.039426
H -0.482661 2.597192 -1.046854
H 1.113972 1.965783 -1.528727
H -4.690135 -2.558446 -0.195579
H -5.307984 -1.562787 -1.534099
H -6.229089 -1.255296 1.164245
H -6.329263 0.025767 -0.069605
H 3.029048 1.316745 0.583734
H 0.746514 5.041915 1.524045
H -0.172533 3.509432 1.754823
H -0.659219 4.654524 0.492911
H 2.367625 4.048176 -1.752313
H 2.030728 5.434426 -0.666579
H 0.748515 4.817430 -1.745626
H 2.464085 -4.038480 -0.510685
H 5.575364 -0.178519 0.583377
H 2.730597 3.783041 1.264587
H 4.939721 -4.392347 -0.332826
H 6.472339 -2.495061 0.206278


