%chk=000201657.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201657

0 1
O 1.026662 2.114508 -1.015630
N 1.010674 2.244361 1.220642
N -3.911898 -0.214706 -0.237833
C 1.141774 -0.045857 0.159953
C 1.287589 -0.609385 -1.294597
C 2.263425 -0.420622 1.187223
C -0.220637 -0.496944 0.762546
C -1.445698 -0.033882 -0.034251
C 1.074758 1.498176 0.037723
C 1.090565 -2.125993 -1.402576
C 2.595377 -0.211882 -1.985621
C 3.617512 0.233594 0.891383
C 2.449616 -1.930906 1.363181
C -2.748300 -0.418107 0.689202
C -4.193922 1.236799 -0.445612
C -5.125809 -0.899628 0.301745
H 0.456181 -0.124569 -1.882937
H 1.922746 -0.025482 2.183794
H -0.303059 -0.139526 1.806676
H -0.224081 -1.605691 0.827128
H -1.415182 1.060551 -0.204649
H -1.442538 -0.484657 -1.049688
H 0.189360 -2.465039 -0.880190
H 0.987498 -2.424406 -2.452368
H 1.945848 -2.678503 -0.990176
H 3.478378 -0.619800 -1.477942
H 2.699132 0.882486 -2.027511
H 2.613454 -0.570237 -3.020484
H 3.538431 1.309859 0.707501
H 4.090480 -0.207682 -0.000484
H 4.311719 0.094134 1.726802
H 3.194101 -2.148169 2.136661
H 1.517067 -2.426652 1.652730
H 2.796147 -2.406028 0.432334
H -2.842521 0.149522 1.638640
H -2.714404 -1.495551 0.963131
H 1.089596 1.844815 2.135702
H 0.966799 3.249825 1.167832
H -5.016812 1.341084 -1.170523
H -3.308154 1.714008 -0.897646
H -4.459368 1.793673 0.464024
H -5.462209 -0.544417 1.286069
H -4.927509 -1.981134 0.367976
H -5.954890 -0.770640 -0.412778


%chk=000201657-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201657

0 1
O 1.149303 2.167470 -1.075489
N 0.905490 2.208728 1.206916
N -3.994331 -0.238865 -0.144291
C 1.169599 -0.041375 0.116105
C 1.349407 -0.598594 -1.354695
C 2.288271 -0.417423 1.187319
C -0.219399 -0.506361 0.699938
C -1.469412 -0.061989 -0.094595
C 1.091800 1.521193 0.013755
C 0.940316 -2.079986 -1.567617
C 2.749248 -0.361664 -1.976659
C 3.624056 0.366273 1.078046
C 2.598617 -1.931876 1.301600
C -2.763977 -0.431057 0.659822
C -4.232395 1.168977 -0.522115
C -5.174738 -0.831484 0.516979
H 0.653664 0.014466 -1.960605
H 1.845124 -0.133009 2.169823
H -0.314804 -0.126326 1.739366
H -0.216914 -1.609624 0.783810
H -1.425913 1.029675 -0.267769
H -1.500210 -0.545012 -1.088378
H -0.108818 -2.277584 -1.288071
H 1.039973 -2.323297 -2.642557
H 1.580998 -2.784652 -1.012115
H 3.515264 -1.033703 -1.547000
H 3.072465 0.684524 -1.853687
H 2.703947 -0.570827 -3.062139
H 3.463756 1.455252 0.996139
H 4.220987 0.044649 0.210160
H 4.231007 0.182433 1.985170
H 3.230014 -2.109004 2.192894
H 1.689122 -2.548630 1.409140
H 3.161415 -2.295864 0.424383
H -2.804251 0.152321 1.621370
H -2.719418 -1.502746 0.940280
H 0.861134 1.745639 2.111960
H 0.832281 3.225033 1.163192
H -5.153204 1.234358 -1.128842
H -3.398959 1.549295 -1.135328
H -4.352213 1.846868 0.363297
H -5.432410 -0.342210 1.492287
H -4.993498 -1.903982 0.711635
H -6.054500 -0.748714 -0.146333


