%chk=000213889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213889

0 1
O -0.525929 1.294123 2.333262
N -2.728316 -0.282347 0.337024
N 0.306174 0.462737 0.377112
C -3.694230 -1.427787 0.220892
C -3.453506 1.011911 0.575708
C -4.647005 -1.179283 -0.960309
C -4.405626 1.294571 -0.596845
C -5.401896 0.145023 -0.791019
C -1.755914 -0.551922 1.442338
C -0.628790 0.483053 1.426044
C 0.213057 -0.523484 -0.733395
C 1.429077 1.376161 0.366534
C 0.711464 -1.892495 -0.328380
C 2.154790 1.617632 1.548585
C 1.795587 2.021886 -0.826682
C 3.245990 2.482949 1.523650
C 2.895680 2.880957 -0.839914
C -0.056546 -3.024170 -0.640852
C 1.941661 -2.047117 0.326516
C 3.631916 3.117021 0.330136
C 0.404541 -4.298812 -0.300315
C 2.395903 -3.323215 0.669297
C 4.805472 4.041864 0.322481
C 1.629652 -4.450862 0.356503
H -3.108093 -2.354339 0.039159
H -4.280421 -1.590306 1.151028
H -4.014415 1.018684 1.534828
H -2.693576 1.822818 0.645557
H -5.357007 -2.021652 -1.047272
H -4.067178 -1.157932 -1.904529
H -3.815810 1.438906 -1.524057
H -4.940290 2.245264 -0.417046
H -6.088105 0.085271 0.074911
H -6.038340 0.336856 -1.674468
H -2.213621 -0.521246 2.459471
H -1.330345 -1.574613 1.319515
H 0.808345 -0.169349 -1.608351
H -0.848723 -0.564926 -1.090301
H 1.842896 1.152800 2.486209
H 1.221593 1.866606 -1.738431
H 3.800555 2.672128 2.441743
H 3.175054 3.375796 -1.768420
H -1.011169 -2.911977 -1.152720
H 2.542381 -1.170045 0.570933
H -0.191983 -5.175150 -0.547773
H 3.350778 -3.438789 1.180081
H 5.094732 4.352318 -0.689472
H 4.585901 4.957939 0.890775
H 5.689118 3.577737 0.781929
H 1.986716 -5.443592 0.622526


%chk=000213889-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213889

0 1
O -0.480357 1.274373 2.499181
N -2.725725 -0.284902 0.393858
N 0.315181 0.438690 0.457097
C -3.716478 -1.391622 0.283966
C -3.397379 1.037538 0.536493
C -4.648350 -1.180872 -0.925866
C -4.319455 1.317696 -0.666777
C -5.360617 0.188158 -0.836887
C -1.758662 -0.540955 1.494506
C -0.591299 0.464608 1.528053
C 0.172462 -0.562427 -0.636674
C 1.421386 1.374689 0.406730
C 0.679027 -1.961763 -0.280132
C 2.226035 1.615638 1.549762
C 1.719114 2.059037 -0.796258
C 3.306765 2.515695 1.476325
C 2.811623 2.951832 -0.859034
C 0.055105 -3.093362 -0.863957
C 1.781244 -2.160721 0.588736
C 3.625469 3.199741 0.273574
C 0.526457 -4.398233 -0.594927
C 2.251382 -3.464783 0.862664
C 4.787345 4.176050 0.215257
C 1.627964 -4.588291 0.271144
H -3.161427 -2.343618 0.180683
H -4.336174 -1.466395 1.215924
H -3.996780 1.072563 1.483154
H -2.621613 1.819498 0.617939
H -5.386527 -2.004832 -0.966669
H -4.046238 -1.224574 -1.854730
H -3.700991 1.393570 -1.582429
H -4.820920 2.293578 -0.521280
H -6.047062 0.188094 0.035086
H -5.980685 0.362194 -1.736459
H -2.234610 -0.465705 2.499261
H -1.366070 -1.568635 1.377452
H 0.745562 -0.190473 -1.503475
H -0.893356 -0.606113 -0.926869
H 1.989751 1.115338 2.491666
H 1.087617 1.917936 -1.680610
H 3.916646 2.689853 2.371493
H 3.024434 3.471565 -1.800945
H -0.803918 -2.950596 -1.532855
H 2.270298 -1.295424 1.049121
H 0.032940 -5.262711 -1.053634
H 3.104968 -3.604492 1.535804
H 4.981197 4.513680 -0.817460
H 4.585433 5.074940 0.828837
H 5.717636 3.721343 0.603552
H 1.993854 -5.598796 0.484805


