%chk=000200405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200405

0 1
O -4.595870 0.513901 0.064816
N 1.536060 0.690829 -0.251484
N 4.366497 0.183244 0.120024
C 2.552821 1.775503 -0.451902
C 2.024698 -0.258699 0.801385
C 3.883216 1.148589 -0.916003
C 3.352089 -0.894202 0.341956
C 0.202124 1.271280 0.116154
C -0.892242 0.240047 -0.212034
C 5.736613 -0.201248 0.073987
C -2.283980 0.822078 0.045410
C -3.371160 -0.194371 -0.299966
C 6.702014 0.646795 -0.519004
C 6.175961 -1.376019 0.729539
C 8.055903 0.326283 -0.445805
C 7.534720 -1.677758 0.791172
C 8.483936 -0.835426 0.204104
C -5.800400 -0.123806 -0.146461
C -6.926749 0.669213 0.207825
C -5.941632 -1.417450 -0.653767
C -8.193735 0.114042 0.035331
C -6.746780 2.044693 0.756200
C -7.232197 -1.941845 -0.813430
C -8.350479 -1.185516 -0.472790
H 2.724523 2.383861 0.463023
H 2.181899 2.460717 -1.244409
H 2.165171 0.228105 1.791675
H 1.264115 -1.058692 0.931130
H 3.743842 0.650929 -1.902158
H 4.638276 1.955878 -1.052275
H 3.716248 -1.589804 1.131790
H 3.186798 -1.493616 -0.581449
H 0.137411 1.580014 1.181218
H 0.032013 2.189284 -0.488710
H -0.741539 -0.679079 0.386936
H -0.789339 -0.074563 -1.271189
H -2.394390 1.132774 1.104597
H -2.442432 1.746243 -0.546969
H -3.304496 -1.115133 0.303097
H -3.406154 -0.434557 -1.375660
H 6.394810 1.561180 -1.022036
H 5.457597 -2.042280 1.202352
H 8.788770 0.990713 -0.903374
H 7.859202 -2.583685 1.302962
H 9.540230 -1.079497 0.253738
H -5.082292 -2.020320 -0.923900
H -9.076482 0.696119 0.298191
H -7.487504 2.748121 0.356167
H -6.840198 2.045061 1.851616
H -5.748803 2.447475 0.519748
H -7.352470 -2.949758 -1.207839
H -9.349134 -1.595846 -0.598329


%chk=000200405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200405

0 1
O -4.680185 0.644603 -0.006846
N 1.590139 0.735807 -0.327422
N 4.410365 0.133776 0.042637
C 2.616816 1.804641 -0.402241
C 2.035464 -0.296221 0.639126
C 3.964547 1.223735 -0.857354
C 3.383498 -0.910406 0.218765
C 0.244864 1.284283 -0.021211
C -0.895287 0.267270 -0.235229
C 5.783052 -0.223997 0.085998
C -2.282908 0.923527 -0.051996
C -3.419394 -0.090223 -0.204523
C 6.802476 0.776649 0.025273
C 6.201624 -1.582406 0.231482
C 8.164991 0.431577 0.109282
C 7.570450 -1.914189 0.324845
C 8.568022 -0.916610 0.262901
C -5.886767 -0.077699 -0.084791
C -7.065662 0.698981 0.123754
C -5.960364 -1.466818 -0.347097
C -8.310709 0.035067 0.060995
C -6.957281 2.184343 0.401615
C -7.223732 -2.100687 -0.403453
C -8.402672 -1.354310 -0.199651
H 2.753376 2.312753 0.587055
H 2.286371 2.563432 -1.135967
H 2.140020 0.135885 1.668360
H 1.286255 -1.105770 0.684102
H 3.853255 0.840047 -1.897554
H 4.714131 2.029550 -0.873911
H 3.704936 -1.601826 1.016822
H 3.238468 -1.499976 -0.716682
H 0.190722 1.683048 1.026469
H 0.079029 2.144578 -0.699175
H -0.796484 -0.576400 0.476699
H -0.798432 -0.156173 -1.253940
H -2.356621 1.389863 0.949620
H -2.423543 1.731940 -0.794921
H -3.334311 -0.897482 0.553516
H -3.408187 -0.551380 -1.214572
H 6.532620 1.834205 -0.058289
H 5.465742 -2.391245 0.248545
H 8.918720 1.226752 0.066276
H 7.855577 -2.967462 0.433151
H 9.628767 -1.179249 0.330492
H -5.054256 -2.058177 -0.507720
H -9.224691 0.620031 0.219984
H -7.955235 2.634339 0.540081
H -6.354196 2.377520 1.307937
H -6.446087 2.708691 -0.426804
H -7.278052 -3.176091 -0.606846
H -9.382140 -1.842293 -0.242390


