%chk=000298413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298413

0 1
O 1.592757 0.199089 -2.087398
N 2.393182 -1.213285 1.169053
N -0.012552 1.579280 0.028908
C 1.444544 -0.517885 0.231695
C 3.469810 -1.052087 -1.207071
C -1.451072 1.209503 0.225230
C 4.358403 -0.343253 -0.164019
C 3.268338 -2.527582 -0.803882
C 3.696406 -0.466960 1.229852
C 2.661329 -2.588076 0.619788
C 2.097308 -0.371876 -1.149524
C 0.994989 0.842515 0.822310
C -1.828255 1.387172 1.719461
C -2.311375 2.179278 -0.640052
C -1.716796 2.848081 2.174545
C -2.216272 3.633473 -0.164170
C -2.597950 3.764637 1.315914
C -1.757622 -0.214540 -0.280082
C -2.455790 -1.152959 0.489626
C -1.347800 -0.581049 -1.575023
C -2.734899 -2.428192 -0.015884
C -1.627431 -1.850804 -2.081540
C -2.323372 -2.781607 -1.302127
H 0.533898 -1.171293 0.122079
H 3.907649 -0.972839 -2.224273
H 4.501789 0.716981 -0.438687
H 5.365827 -0.794888 -0.160797
H 4.234635 -3.060494 -0.839069
H 2.613362 -3.038335 -1.531763
H 4.362106 -0.998756 1.939798
H 3.508576 0.533706 1.670588
H 1.710304 -3.158812 0.624605
H 3.342450 -3.112374 1.320184
H 1.873948 1.522136 0.917986
H 0.621386 0.667990 1.859312
H -1.177395 0.750274 2.350938
H -2.866074 1.034920 1.877720
H -3.364346 1.839327 -0.601948
H -2.010398 2.117014 -1.702245
H 0.237022 1.564199 -0.971856
H -0.660058 3.177475 2.100199
H -1.999690 2.931401 3.239169
H -2.867914 4.273820 -0.785818
H -1.179850 4.000867 -0.311738
H -3.664688 3.509507 1.457650
H -2.485438 4.814196 1.644024
H -2.798591 -0.903266 1.493441
H -0.787732 0.125076 -2.195222
H -3.278550 -3.143844 0.598171
H -1.304931 -2.114730 -3.087469
H -2.544478 -3.770126 -1.697487


%chk=000298413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298413

0 1
O 1.786288 0.529162 -2.051386
N 2.412254 -1.250219 1.114687
N -0.066903 1.564124 0.115648
C 1.508941 -0.474347 0.202298
C 3.542855 -0.993011 -1.224365
C -1.507367 1.200226 0.251017
C 4.475656 -0.414319 -0.111280
C 3.280010 -2.498919 -0.914132
C 3.738492 -0.569007 1.269997
C 2.638820 -2.607094 0.520227
C 2.218741 -0.235426 -1.140165
C 0.980206 0.855165 0.855263
C -1.970850 1.431063 1.721013
C -2.304610 2.191719 -0.663359
C -1.802384 2.898212 2.171177
C -2.174364 3.668048 -0.222169
C -2.596656 3.855328 1.252725
C -1.812111 -0.250922 -0.234280
C -2.421729 -1.236442 0.584784
C -1.459994 -0.623743 -1.562751
C -2.673648 -2.542318 0.099020
C -1.715776 -1.920287 -2.054614
C -2.327106 -2.891193 -1.224425
H 0.618536 -1.104623 0.014325
H 3.984592 -0.855265 -2.225521
H 4.713211 0.643607 -0.325222
H 5.429602 -0.975410 -0.126569
H 4.242796 -3.041963 -0.964042
H 2.616178 -2.935867 -1.682088
H 4.338857 -1.173005 1.973300
H 3.574111 0.412245 1.746229
H 1.666128 -3.128647 0.481875
H 3.293507 -3.172351 1.207855
H 1.834330 1.547838 0.989755
H 0.621542 0.588038 1.864213
H -1.427703 0.756889 2.412014
H -3.042816 1.157532 1.792703
H -3.369654 1.886360 -0.644164
H -1.965301 2.078463 -1.712396
H 0.214333 1.760968 -0.853309
H -0.729612 3.166357 2.133924
H -2.139045 3.004540 3.221367
H -2.794286 4.303236 -0.885405
H -1.123556 3.993190 -0.340802
H -3.682589 3.645893 1.355390
H -2.440552 4.906111 1.565251
H -2.704392 -0.997970 1.614438
H -0.952717 0.098258 -2.214068
H -3.142847 -3.283753 0.756540
H -1.435107 -2.174943 -3.083294
H -2.527616 -3.899519 -1.604127


