%chk=000210512.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210512

1 1
O 0.010100 -0.036789 -0.346643
N -2.691936 -0.251716 0.756717
C 1.719716 -1.443607 -1.223235
C 2.685526 -1.104353 -0.070829
C 0.826143 -0.233489 -1.543827
C 0.874691 -2.690691 -0.896385
C 3.806079 -2.141429 0.072854
C -0.887236 1.090551 -0.397408
C 4.734191 -1.806682 1.249106
C 0.200848 -3.293238 -2.123256
C -1.731353 0.884216 0.887909
C -0.154924 2.407568 -0.308677
C 5.851448 -2.836319 1.392602
C -0.669906 3.534211 -0.965764
C 1.033442 2.503971 0.427548
C -2.234282 -1.498418 0.407108
C -4.035959 -0.043412 0.999785
C 0.003262 4.755398 -0.877529
C 1.703686 3.727377 0.510570
C 1.188423 4.853548 -0.139344
C -3.124270 -2.571203 0.298507
C -4.938656 -1.099368 0.898268
C -4.484890 -2.379911 0.546018
H 2.325360 -1.650875 -2.144819
H 2.119813 -1.015003 0.876268
H 3.133284 -0.105235 -0.243812
H 0.150455 -0.422811 -2.393989
H 1.411955 0.685125 -1.723797
H 0.114497 -2.426307 -0.125674
H 1.527523 -3.455222 -0.420718
H 4.396790 -2.195832 -0.862855
H 3.376585 -3.153660 0.212189
H -1.506897 1.019045 -1.320306
H 5.174142 -0.799360 1.108937
H 4.152302 -1.755307 2.189907
H -2.264887 1.829058 1.147036
H -1.031134 0.672139 1.740982
H 0.940216 -3.583046 -2.884140
H -0.495023 -2.599431 -2.604700
H -0.352344 -4.205186 -1.870296
H 5.459571 -3.843639 1.573634
H 6.477947 -2.886055 0.493964
H 6.512469 -2.589662 2.232586
H -1.585158 3.467531 -1.551538
H 1.438218 1.617484 0.919941
H -1.124634 -1.623819 0.191123
H -4.370327 0.969830 1.276634
H -0.393041 5.634193 -1.388894
H 2.630822 3.803725 1.080908
H 1.712507 5.809173 -0.074323
H -2.736759 -3.560355 0.017564
H -6.004631 -0.921437 1.096212
H -5.192166 -3.216181 0.466882


%chk=000210512-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210512

1 1
O -0.100288 -0.100334 -0.241079
N -2.833868 -0.210794 0.742598
C 1.704236 -1.494398 -1.191251
C 2.749659 -1.166515 -0.087056
C 0.765721 -0.302102 -1.437884
C 0.948525 -2.822725 -0.910945
C 3.893181 -2.199341 0.037908
C -0.937740 1.098178 -0.321022
C 5.007614 -1.744851 1.009776
C -0.101906 -3.214220 -1.972867
C -1.917611 0.972712 0.874895
C -0.158873 2.405257 -0.199804
C 6.137668 -2.786263 1.153564
C -0.500242 3.514492 -1.011505
C 0.888799 2.525869 0.748423
C -2.314751 -1.476577 0.902359
C -4.158209 -0.024401 0.414582
C 0.190833 4.739082 -0.870064
C 1.581390 3.747964 0.885592
C 1.230159 4.858130 0.081130
C -3.136344 -2.602072 0.733983
C -5.011186 -1.121813 0.240309
C -4.498732 -2.431745 0.400946
H 2.256818 -1.622284 -2.148969
H 2.232065 -1.066048 0.889205
H 3.196325 -0.174218 -0.307906
H 0.107673 -0.470596 -2.315219
H 1.354983 0.620902 -1.606436
H 0.473561 -2.758703 0.090184
H 1.695711 -3.634273 -0.839184
H 4.337131 -2.380583 -0.963558
H 3.496900 -3.174473 0.385388
H -1.515623 1.098611 -1.273662
H 5.432079 -0.784064 0.653715
H 4.563391 -1.539472 2.005617
H -2.533625 1.881954 0.955138
H -1.331855 0.856219 1.802349
H 0.346492 -3.245738 -2.983377
H -0.949423 -2.503371 -2.005597
H -0.514404 -4.219326 -1.767659
H 5.748883 -3.746180 1.542315
H 6.617422 -2.989204 0.177897
H 6.922652 -2.435921 1.847546
H -1.294475 3.422829 -1.763768
H 1.179494 1.656736 1.350660
H -1.250852 -1.531291 1.133807
H -4.496805 1.008205 0.307215
H -0.072689 5.592279 -1.503600
H 2.395063 3.836122 1.613061
H 1.768619 5.805465 0.188498
H -2.702081 -3.595585 0.865636
H -6.058862 -0.946428 -0.014157
H -5.151004 -3.300001 0.271276


