%chk=000202737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202737

0 1
O -0.564610 -0.827495 0.066904
O 1.018064 1.560323 0.518762
O 3.866217 1.202864 0.722893
N -3.580800 1.233993 0.149964
C -2.747298 -0.007669 0.110642
C 1.395664 -2.103071 0.034091
C 0.798863 -0.823325 0.180558
C -1.287992 0.427413 0.304861
C 0.536702 -3.310024 -0.215097
C 1.613233 0.303177 0.404059
C -3.743605 1.813802 -1.226273
C -4.907864 0.993330 0.807258
C 3.012663 0.143086 0.476191
C 0.505854 -3.668684 -1.710142
C 2.786081 -2.221370 0.123649
C 3.608935 -1.113460 0.344013
C 1.862150 2.514804 1.218536
C 3.251326 2.515356 0.587767
C -4.140610 3.287337 -1.125959
C -4.722784 0.822062 2.315573
C -0.337976 -4.912759 -1.974183
H -2.845851 -0.593352 -0.828942
H -3.032730 -0.704447 0.929222
H -0.947810 1.176515 -0.430892
H -1.072835 0.778240 1.326556
H -0.498435 -3.120077 0.144091
H 0.904242 -4.170539 0.377937
H -2.767369 1.736880 -1.756345
H -4.482481 1.258159 -1.843019
H -5.549918 1.883982 0.618796
H -5.446343 0.118376 0.383780
H 1.537612 -3.824890 -2.080283
H 0.105292 -2.809462 -2.284478
H 3.242963 -3.206319 0.016128
H 4.688629 -1.211087 0.411293
H 1.312437 3.460878 1.072993
H 1.886920 2.237476 2.287387
H 3.974707 3.166799 1.108141
H 3.217945 2.751012 -0.491537
H -5.153271 3.414441 -0.726999
H -3.462424 3.829021 -0.452160
H -4.100909 3.772386 -2.106365
H -5.688234 0.801764 2.830597
H -4.133532 1.650258 2.732763
H -4.189389 -0.102940 2.563016
H -0.359198 -5.155749 -3.042418
H -1.375194 -4.772380 -1.649141
H 0.055460 -5.788435 -1.445987


%chk=000202737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202737

0 1
O -0.374289 -0.586511 -0.479258
O 1.325826 1.683522 -0.073799
O 4.037059 1.224502 0.913328
N -3.661107 1.115887 0.042547
C -2.700527 0.032396 -0.287396
C 1.374893 -2.050196 0.298986
C 0.925603 -0.724090 0.041723
C -1.271747 0.468314 0.066996
C 0.463074 -3.234515 0.029839
C 1.797982 0.381259 0.241454
C -3.810157 2.098024 -1.066074
C -4.959163 0.618356 0.569372
C 3.119996 0.159841 0.713434
C 0.379821 -3.603155 -1.478265
C 2.694853 -2.232585 0.779836
C 3.566155 -1.145332 0.992620
C 2.155135 2.757805 0.512607
C 3.634683 2.475288 0.240759
C -4.235999 3.497047 -0.581391
C -4.858907 0.111786 2.020678
C -0.555937 -4.802634 -1.736860
H -2.733652 -0.251591 -1.365699
H -2.951156 -0.876541 0.287119
H -1.017605 1.441298 -0.385715
H -1.146524 0.541995 1.163668
H -0.562165 -3.009409 0.381473
H 0.824433 -4.114067 0.598154
H -2.829617 2.184245 -1.570480
H -4.529541 1.728890 -1.840740
H -5.677532 1.457873 0.539874
H -5.384998 -0.185222 -0.084020
H 1.397628 -3.829778 -1.852821
H 0.022075 -2.717224 -2.035120
H 3.042346 -3.249699 0.992732
H 4.587211 -1.285366 1.358816
H 1.819296 3.686627 0.024277
H 1.967648 2.814194 1.602656
H 4.283398 3.260658 0.661134
H 3.813208 2.382677 -0.848479
H -5.225435 3.481468 -0.089438
H -3.501885 3.885504 0.145925
H -4.298532 4.198627 -1.434369
H -5.848524 -0.223637 2.383786
H -4.493106 0.919122 2.678719
H -4.162945 -0.742310 2.111290
H -0.602789 -5.051621 -2.813107
H -1.585446 -4.580933 -1.396471
H -0.210541 -5.704592 -1.196098


