%chk=000188344.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188344

0 1
O 0.670044 1.390761 1.139097
O -0.894461 -3.392087 -0.411608
O 0.971289 -3.808417 -1.435168
O -2.236405 0.736614 3.950144
O -0.821292 -0.988735 3.726100
N 2.121849 0.064778 -0.119114
N -1.194311 -0.996482 0.913041
N 0.251187 -3.084031 -0.765588
C 3.294241 0.980006 -0.200701
C 3.605380 1.320117 -1.671795
C 4.515527 0.349118 0.497379
C 4.801942 2.278553 -1.739691
C 5.709495 1.309963 0.421718
C 6.030083 1.691885 -1.029992
C 2.100900 -1.301257 -0.738814
C 0.950325 0.362977 0.553155
C 0.728188 -1.810028 -0.364031
C 0.043140 -0.873907 0.398998
C -1.852774 0.054338 1.716352
C -3.371886 0.040577 1.471779
C -1.542384 -0.182008 3.200345
C -3.702677 0.479993 0.070872
C -3.746938 1.847287 -0.240767
C -3.964153 -0.471749 -0.925147
C -4.053184 2.256620 -1.541061
C -4.269745 -0.055398 -2.224223
C -4.315139 1.307228 -2.534422
H 3.002905 1.923422 0.344145
H 2.720702 1.777423 -2.154049
H 3.828752 0.401994 -2.247328
H 4.781033 -0.616000 0.026167
H 4.275826 0.118871 1.553095
H 5.044935 2.495579 -2.797369
H 4.532770 3.251834 -1.284636
H 5.498591 2.221915 1.013926
H 6.594351 0.841061 0.893044
H 6.391261 0.801678 -1.580481
H 6.861506 2.421432 -1.052130
H 2.235646 -1.238986 -1.840521
H 2.908526 -1.941007 -0.320585
H -1.708183 -1.885209 0.754405
H -1.427583 1.078642 1.449552
H -3.801588 -0.960503 1.686312
H -3.857497 0.719978 2.213681
H -3.543718 2.591660 0.527461
H -3.929934 -1.535867 -0.695995
H -2.039077 0.663585 4.925283
H -4.087521 3.318659 -1.780751
H -4.471284 -0.797499 -2.996377
H -4.553662 1.628524 -3.546708


%chk=000188344-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188344

0 1
O 0.866568 1.497864 1.138161
O -1.112334 -3.041583 -0.800098
O 0.888617 -3.607081 -1.806109
O -1.787985 1.209040 3.720462
O -0.473984 -0.675963 3.364016
N 2.260968 0.065050 -0.151604
N -1.196451 -0.690428 0.616600
N 0.158004 -2.800849 -1.091071
C 3.482887 0.896247 -0.109569
C 3.887356 1.397659 -1.520457
C 4.659356 0.157394 0.577853
C 5.132234 2.313777 -1.436200
C 5.903681 1.074798 0.658671
C 6.313775 1.598713 -0.738608
C 2.164093 -1.226546 -0.865147
C 1.077103 0.437897 0.473426
C 0.731386 -1.616368 -0.601228
C 0.085543 -0.667630 0.189917
C -1.830024 0.291962 1.501246
C -3.377291 0.088915 1.487929
C -1.266742 0.180801 2.930043
C -3.984671 0.366141 0.119719
C -4.187801 1.703180 -0.310031
C -4.335377 -0.692085 -0.756049
C -4.727178 1.976866 -1.585760
C -4.874573 -0.421840 -2.034712
C -5.071399 0.913473 -2.453611
H 3.205924 1.773217 0.509075
H 3.037519 1.937166 -1.979434
H 4.119889 0.529674 -2.171413
H 4.918923 -0.752239 -0.002253
H 4.351619 -0.171590 1.588085
H 5.424820 2.639267 -2.452572
H 4.872621 3.231095 -0.869010
H 5.680597 1.935762 1.321688
H 6.742619 0.523347 1.124102
H 6.648412 0.746874 -1.366053
H 7.175220 2.287573 -0.648335
H 2.374635 -1.111385 -1.945598
H 2.878314 -1.969287 -0.461391
H -1.715995 -1.532368 0.313783
H -1.588868 1.315299 1.162884
H -3.603465 -0.945252 1.812659
H -3.796670 0.772338 2.245850
H -3.929840 2.532616 0.361093
H -4.194607 -1.733784 -0.440278
H -1.391075 1.163011 4.631624
H -4.883123 3.014494 -1.901634
H -5.137499 -1.251472 -2.699996
H -5.490734 1.124142 -3.443668


