%chk=000181734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181734

0 1
O -2.759946 -3.495816 1.937102
O 2.214056 -2.992712 -1.873350
O -1.386247 3.795876 0.259242
O 2.004411 4.477951 -0.521891
O -3.162268 4.256268 -1.542702
O 3.588095 4.682272 1.480112
N -2.481507 -4.386713 -0.150028
N 2.171396 -3.980083 0.184105
C -0.457344 -5.643617 0.642737
C 0.361670 -5.519161 -0.644213
C -1.973695 -5.673943 0.382541
C 1.862983 -5.315460 -0.381065
C -2.730564 -3.319616 0.727569
C 2.275115 -2.864649 -0.658046
C -2.973568 -2.010682 0.063014
C 2.520420 -1.571298 0.035657
C -3.049244 0.462206 0.170211
C 2.891255 0.882591 -0.078261
C -2.911393 -0.874243 0.770071
C 2.619382 -0.436131 -0.671388
C -2.154700 1.473732 0.591378
C 2.262461 2.021873 -0.635577
C -4.011988 0.732560 -0.802795
C 3.770143 1.020309 0.996981
C -2.213778 2.729675 0.002628
C 2.520332 3.278673 -0.103797
C -3.194011 2.993717 -1.005232
C 3.416460 3.406138 1.006799
C -4.091415 2.005279 -1.393000
C 4.038079 2.286541 1.544931
C -0.477640 3.676433 1.385579
C 1.063909 4.453924 -1.628589
H -0.167286 -6.560724 1.191414
H -0.229294 -4.802719 1.329407
H 0.225075 -6.423003 -1.269758
H -0.006900 -4.674036 -1.261722
H -2.508166 -5.894296 1.339376
H -2.240314 -6.477528 -0.336721
H 2.255367 -6.087502 0.314872
H 2.419245 -5.423726 -1.345306
H -2.280005 -4.207031 -1.128891
H 2.033556 -3.871843 1.181866
H -3.178303 -2.022170 -1.006515
H 2.620494 -1.593927 1.119083
H -2.718071 -0.896321 1.852449
H 2.497903 -0.450658 -1.765476
H -1.419469 1.253577 1.362528
H 1.581176 1.901591 -1.475505
H -4.715576 -0.040553 -1.109659
H 4.269057 0.147089 1.415798
H -4.847970 2.206227 -2.147138
H 4.727563 2.380326 2.379961
H -3.897835 4.388595 -2.193535
H 4.271522 4.711725 2.197400
H 0.119254 4.597217 1.280826
H 0.163499 2.796038 1.282874
H -1.044947 3.669197 2.318928
H 0.883278 5.526832 -1.779085
H 0.136052 3.949111 -1.323425
H 1.516232 4.002919 -2.513568


%chk=000181734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181734

0 1
O -1.519866 -3.151312 2.146680
O 1.215902 -2.883311 -2.047720
O -1.597152 4.202134 0.452064
O 1.928430 4.508974 -0.524148
O -2.906660 4.331475 -1.874054
O 3.352814 4.568361 1.733501
N -2.343640 -4.404366 0.363979
N 2.098949 -4.155953 -0.308154
C -0.293131 -5.813164 0.719918
C 0.173358 -5.720671 -0.748314
C -1.829888 -5.680907 0.889983
C 1.690402 -5.440427 -0.902627
C -2.086780 -3.194340 1.003724
C 1.806531 -2.937899 -0.917337
C -2.499640 -1.990087 0.233058
C 2.247438 -1.742169 -0.147888
C -2.442694 0.539489 -0.004054
C 2.363886 0.789267 0.047968
C -2.185666 -0.735855 0.675013
C 1.985478 -0.476685 -0.593830
C -1.925503 1.733861 0.579558
C 1.948565 2.014249 -0.556026
C -3.154788 0.640931 -1.229225
C 3.131527 0.853527 1.241974
C -2.087930 2.990257 -0.039207
C 2.285091 3.267208 -0.000118
C -2.791874 3.066115 -1.279727
C 3.052704 3.305391 1.205245
C -3.324104 1.890371 -1.854564
C 3.466442 2.097178 1.809632
C -0.895833 4.174949 1.742397
C 1.119781 4.525845 -1.751006
H 0.030112 -6.772727 1.172452
H 0.166640 -5.000276 1.311525
H -0.067063 -6.656380 -1.293498
H -0.356190 -4.897450 -1.262104
H -2.079422 -5.735840 1.964925
H -2.356264 -6.501616 0.367746
H 2.288211 -6.241497 -0.428462
H 1.940426 -5.411074 -1.978821
H -2.741913 -4.385881 -0.575558
H 2.515033 -4.152854 0.623666
H -3.011776 -2.147480 -0.725845
H 2.782629 -1.914966 0.795886
H -1.650582 -0.691889 1.635430
H 1.428102 -0.411348 -1.540269
H -1.372043 1.657330 1.521083
H 1.346904 1.968930 -1.469615
H -3.571792 -0.252974 -1.702552
H 3.471613 -0.064014 1.731320
H -3.871685 1.958263 -2.804084
H 4.059628 2.135930 2.733106
H -3.438106 4.270029 -2.707264
H 3.912850 4.474565 2.544789
H -0.599132 5.217448 1.922995
H 0.007690 3.539139 1.695772
H -1.567858 3.821927 2.548556
H 1.000924 5.591840 -1.991470
H 0.124949 4.078963 -1.576313
H 1.641961 4.007766 -2.578890


