%chk=000202341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202341

0 1
O -0.320316 0.777958 0.277450
N -4.263728 1.170307 0.384952
C -3.879819 0.544980 -0.931951
C -3.800899 0.117823 1.359811
C -4.230325 -0.968898 -0.800225
C -4.179208 -1.251202 0.716111
C -2.357384 0.760269 -1.066323
C -2.270511 0.286184 1.460723
C -1.590824 0.093815 0.092762
C -5.718698 1.467438 0.490605
C 0.732398 0.413442 -0.654062
C 1.181046 -1.017596 -0.438652
C 1.801697 1.464330 -0.423028
C 1.587122 -1.457888 0.834122
C 2.702417 1.501844 0.653557
C 1.647186 -0.470767 1.962475
C 2.823367 0.489553 1.764465
C 1.165718 -1.911491 -1.513941
C 1.841322 2.491436 -1.390136
C 1.957233 -2.796494 1.015554
C 3.633369 2.564685 0.721442
C 1.544570 -3.251364 -1.332014
C 1.934074 -3.689504 -0.058252
C 2.762092 3.531176 -1.310624
C 3.667441 3.565870 -0.242801
C 1.532130 -4.191865 -2.494064
H -4.412387 1.021361 -1.780085
H -4.268313 0.250963 2.356751
H -3.525423 -1.601068 -1.359174
H -5.229164 -1.175671 -1.212795
H -5.151453 -1.603987 1.091430
H -3.447261 -2.033870 0.963785
H -2.001511 0.386274 -2.038764
H -2.142224 1.850391 -1.044813
H -2.034917 1.309630 1.827872
H -1.846858 -0.413385 2.199807
H -1.398426 -0.978958 -0.116763
H -6.384961 0.603868 0.352857
H -5.978593 2.231682 -0.259541
H -5.918161 1.907014 1.481318
H 0.310647 0.520935 -1.685390
H 0.691711 0.109323 2.007734
H 1.739328 -0.978745 2.940640
H 3.749934 -0.102788 1.585943
H 2.991446 1.027833 2.723310
H 0.863747 -1.570839 -2.502449
H 1.129733 2.474761 -2.216391
H 2.269754 -3.145215 1.998048
H 4.339599 2.602830 1.549874
H 2.224501 -4.726246 0.097249
H 2.776593 4.312214 -2.066728
H 4.391865 4.374670 -0.167914
H 2.287982 -3.905500 -3.239788
H 1.745239 -5.228134 -2.202370
H 0.557505 -4.194186 -3.000911


%chk=000202341-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202341

0 1
O -0.286320 0.972099 0.452587
N -4.433830 1.022434 0.170883
C -3.805471 0.317727 -0.992815
C -3.901500 0.219075 1.320332
C -3.993765 -1.216808 -0.691301
C -4.052246 -1.284182 0.873113
C -2.308461 0.722418 -1.031945
C -2.418086 0.617930 1.519484
C -1.585431 0.280831 0.266313
C -5.912798 1.077168 0.111361
C 0.783366 0.561654 -0.512934
C 1.141723 -0.915065 -0.371019
C 1.922222 1.564905 -0.335620
C 1.617966 -1.439384 0.864920
C 2.918219 1.517402 0.685595
C 1.873898 -0.508249 2.035430
C 3.066936 0.441751 1.767199
C 0.958542 -1.779323 -1.473656
C 1.950417 2.634326 -1.272177
C 1.886935 -2.823864 0.949074
C 3.901258 2.545781 0.710643
C 1.239211 -3.168668 -1.398391
C 1.701374 -3.679992 -0.162295
C 2.931534 3.643580 -1.233484
C 3.922576 3.595789 -0.227167
C 1.050528 -4.069582 -2.607281
H -4.299228 0.626474 -1.931275
H -4.474678 0.446738 2.236150
H -3.167270 -1.820487 -1.107340
H -4.931890 -1.588829 -1.140415
H -5.015967 -1.699524 1.217644
H -3.251082 -1.915874 1.296432
H -1.828088 0.271318 -1.922470
H -2.243781 1.822811 -1.117155
H -2.365024 1.706872 1.697367
H -1.989679 0.102624 2.399832
H -1.398798 -0.813421 0.228748
H -6.420558 0.083593 0.053173
H -6.217279 1.666609 -0.772032
H -6.290080 1.598176 1.009493
H 0.384352 0.708318 -1.538151
H 0.973635 0.098708 2.240502
H 2.101913 -1.103871 2.939311
H 3.954232 -0.176643 1.515204
H 3.315725 0.957922 2.715587
H 0.590175 -1.360823 -2.420995
H 1.172534 2.670965 -2.044852
H 2.250566 -3.238903 1.897406
H 4.668289 2.513227 1.495373
H 1.918751 -4.750961 -0.067482
H 2.922365 4.453119 -1.971349
H 4.697906 4.368284 -0.172028
H 1.763915 -3.813458 -3.413848
H 1.208033 -5.130590 -2.347282
H 0.033616 -3.972930 -3.031703


