%chk=000203417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203417

0 1
O 0.915840 -0.533439 2.014982
N -2.860601 0.076262 0.296971
C -0.444325 0.589969 0.453214
C 0.937296 -0.111429 0.633143
C -1.577912 -0.345074 0.945813
C -0.492598 1.921107 1.205498
C 2.089767 0.865047 0.405453
C 1.158242 -1.343063 -0.249271
C -3.061355 -0.617135 -1.017648
C -4.035920 -0.127832 1.206135
C -3.956865 0.258997 -1.911673
C -4.091739 0.987068 2.267752
C 2.478219 1.204526 -0.898293
C 2.213057 -2.216174 0.066901
C 2.750932 1.442114 1.497937
C 0.369794 -1.611016 -1.374069
C -4.140402 -0.360168 -3.293719
C -4.542033 2.321783 1.679917
C 3.527448 2.104322 -1.104278
C 2.464387 -3.340792 -0.720855
C 3.801760 2.339217 1.288723
C 0.623404 -2.735923 -2.165760
C 4.192966 2.670723 -0.012222
C 1.668908 -3.603880 -1.841528
H -0.579120 0.801197 -0.637339
H -1.652990 -0.257856 2.053043
H -1.321497 -1.408846 0.758507
H 0.186105 2.662282 0.771112
H -0.218262 1.793388 2.259657
H -1.509767 2.336839 1.170350
H -2.068266 -0.750238 -1.513109
H -3.493413 -1.634211 -0.913387
H -4.966607 -0.097459 0.597033
H -4.021527 -1.120029 1.706082
H 1.705664 -1.068549 2.234972
H -3.511842 1.271037 -1.996339
H -4.941447 0.413167 -1.427679
H -3.094670 1.107838 2.739334
H -4.779349 0.678532 3.078231
H 1.966469 0.764415 -1.753581
H 2.846811 -2.010517 0.929542
H 2.428714 1.199226 2.512021
H -0.465020 -0.949034 -1.639362
H -3.185513 -0.471285 -3.819261
H -4.603351 -1.351691 -3.236742
H -4.785737 0.265442 -3.921407
H -3.912800 2.593944 0.819996
H -5.576588 2.281757 1.324758
H -4.470556 3.128209 2.416113
H 3.826910 2.363920 -2.118097
H 3.283126 -4.011471 -0.464909
H 4.312753 2.783524 2.140905
H 0.001943 -2.934176 -3.037615
H 5.010931 3.369446 -0.174745
H 1.865328 -4.479315 -2.457205


%chk=000203417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203417

0 1
O 0.865914 -0.468399 2.067609
N -2.912369 0.098492 0.252264
C -0.407539 0.511776 0.274073
C 0.972115 -0.155615 0.614786
C -1.594606 -0.373643 0.756308
C -0.538924 1.924979 0.885489
C 2.133792 0.840187 0.375524
C 1.278508 -1.463026 -0.161484
C -3.190676 -0.309154 -1.147449
C -4.020539 -0.229649 1.192229
C -4.180701 0.626205 -1.875798
C -4.149008 0.781466 2.355300
C 2.587466 1.106129 -0.942064
C 2.430360 -2.208253 0.213615
C 2.740908 1.521982 1.457019
C 0.506396 -1.941681 -1.247264
C -4.462265 0.163015 -3.321741
C -4.618990 2.173795 1.886162
C 3.623356 2.037106 -1.172630
C 2.775955 -3.407157 -0.443541
C 3.786440 2.446138 1.229186
C 0.852444 -3.138353 -1.916559
C 4.230845 2.709963 -0.086138
C 1.982197 -3.882571 -1.513629
H -0.451374 0.618615 -0.829416
H -1.603356 -0.328240 1.858030
H -1.420337 -1.443499 0.493435
H 0.156565 2.645064 0.422039
H -0.336733 1.898307 1.971445
H -1.573060 2.276430 0.728623
H -2.235981 -0.288285 -1.708426
H -3.565661 -1.364882 -1.205956
H -4.970945 -0.229604 0.625199
H -3.898822 -1.261778 1.606031
H 1.574621 -1.117591 2.308129
H -3.759161 1.649379 -1.871858
H -5.133436 0.679531 -1.313862
H -3.172780 0.872258 2.870689
H -4.861123 0.371368 3.100549
H 2.139471 0.573313 -1.789350
H 3.095721 -1.828170 1.001421
H 2.375324 1.330797 2.470835
H -0.371724 -1.386128 -1.587680
H -3.532207 0.131791 -3.921112
H -4.905342 -0.851064 -3.337725
H -5.166171 0.846260 -3.830500
H -3.952096 2.547472 1.089093
H -5.646689 2.129998 1.476837
H -4.615686 2.903649 2.716521
H 3.962797 2.231483 -2.196572
H 3.669927 -3.959999 -0.133804
H 4.247794 2.964684 2.077707
H 0.236512 -3.487203 -2.753243
H 5.039316 3.428158 -0.263808
H 2.248261 -4.811148 -2.030536


