%chk=000200470.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200470

0 1
O 1.134969 -0.355179 -1.762682
N -3.748855 0.737689 -0.802835
N 1.131475 -1.191809 1.753886
C -5.986419 0.164318 0.070530
C -5.169313 -1.135307 -0.048620
C -5.150536 1.252741 -0.638746
C -3.884322 -0.757607 -0.818424
C -2.861567 1.218138 0.313434
C 1.013003 0.046195 -0.372182
C -1.497339 0.803095 0.072870
C 2.014624 1.163471 -0.088836
C -0.357602 0.463438 -0.127499
C 1.389684 -1.215819 0.417920
C 1.956330 1.857409 1.127821
C 2.998942 1.481295 -1.031961
C 1.986619 -2.316890 -0.221342
C 2.873611 2.877969 1.389884
C 3.914011 2.504065 -0.765555
C 3.850705 3.204469 0.442981
C 2.327313 -3.431224 0.548298
C 1.470950 -2.283819 2.485991
C 2.069637 -3.422658 1.922498
H -6.979183 0.060773 -0.396107
H -6.164965 0.424118 1.126619
H -4.929371 -1.545098 0.946277
H -5.732463 -1.919402 -0.579584
H -5.533837 1.435464 -1.666546
H -5.185365 2.220361 -0.109131
H -2.988462 -1.262577 -0.412758
H -3.961871 -1.052287 -1.887170
H -3.190653 0.866744 1.323232
H -2.909351 2.337455 0.328711
H 1.201750 1.587276 1.869968
H 3.049512 0.923352 -1.968935
H 2.167899 -2.286805 -1.298101
H 0.573421 0.215563 -2.332042
H 2.828566 3.417297 2.333953
H 4.677482 2.752190 -1.500094
H 4.563044 4.000908 0.648837
H 2.790997 -4.299165 0.080201
H 1.249466 -2.227151 3.557600
H 2.326662 -4.275797 2.544039


%chk=000200470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200470

0 1
O 1.242388 -0.182827 -1.958504
N -3.866804 0.628915 -0.953271
N 1.159838 -1.115762 1.591512
C -5.853686 0.125772 0.401833
C -4.974984 -1.167548 0.316465
C -5.283940 1.049281 -0.731064
C -3.931286 -0.857953 -0.815991
C -2.943073 1.272312 0.035565
C 1.045089 0.144103 -0.522285
C -1.537321 0.881633 -0.161715
C 2.048481 1.241155 -0.085257
C -0.358021 0.551205 -0.300967
C 1.351804 -1.168281 0.241727
C 1.749511 2.133900 0.970439
C 3.310277 1.312468 -0.724654
C 1.814933 -2.323907 -0.427552
C 2.700397 3.096534 1.376556
C 4.259452 2.276315 -0.317988
C 3.957457 3.172564 0.733510
C 2.096771 -3.476503 0.340907
C 1.432773 -2.234924 2.317625
C 1.904771 -3.436893 1.740368
H -6.926533 -0.084982 0.249149
H -5.750292 0.607633 1.390790
H -4.471818 -1.370270 1.278336
H -5.577818 -2.058312 0.067241
H -5.841216 0.876817 -1.671227
H -5.343272 2.126145 -0.496111
H -2.928040 -1.268487 -0.616751
H -4.283276 -1.274181 -1.778294
H -3.216116 1.049817 1.098643
H -3.036756 2.367611 -0.094071
H 0.780103 2.065982 1.473549
H 3.535199 0.615346 -1.538362
H 1.935143 -2.303833 -1.512096
H 0.906592 0.585428 -2.487096
H 2.460863 3.785211 2.194727
H 5.232249 2.328271 -0.820287
H 4.693863 3.920650 1.048598
H 2.456889 -4.389149 -0.146232
H 1.266633 -2.156207 3.398380
H 2.111974 -4.307849 2.370258


