%chk=000208369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208369

1 1
O -0.364512 -1.327176 0.516991
O -0.666956 -0.909436 -1.767671
N 2.676079 0.586745 -0.596522
C 3.326152 1.918316 -0.125395
C 3.798491 -0.452470 -0.828283
C 1.648398 0.124862 0.463026
C 4.260292 1.755308 1.086250
C 4.679302 -0.661102 0.412324
C 5.333021 0.667898 0.853042
C 1.954991 0.852894 -1.921175
C 1.091901 -1.309832 0.270685
C -2.670556 -1.390054 -0.324741
C -3.167319 -0.528581 0.894494
C -3.356188 1.026137 0.809241
C -1.190198 -1.156035 -0.634932
C -3.482136 -1.191036 -1.627924
C -2.785687 -2.893259 0.110742
C -3.552777 1.515869 2.274559
C -4.621885 1.433744 0.004420
C -2.114118 1.742161 0.215698
H 2.495566 2.614527 0.084754
H 3.885750 2.294961 -1.000488
H 4.406293 -0.051309 -1.659285
H 3.321931 -1.383291 -1.174352
H 2.133151 0.226235 1.444241
H 0.816650 0.847343 0.411961
H 3.684613 1.539985 2.005642
H 4.738775 2.737601 1.254456
H 5.453066 -1.403495 0.145380
H 4.098620 -1.107070 1.242447
H 6.043796 1.004463 0.072758
H 5.921182 0.517713 1.774293
H 2.707401 1.032917 -2.704131
H 1.308835 0.000144 -2.178256
H 1.321928 1.746295 -1.800378
H 1.284812 -1.701292 -0.743835
H 1.502882 -2.001830 1.020952
H -4.146691 -0.960074 1.184791
H -2.477052 -0.741271 1.734524
H -3.216114 -1.963049 -2.370891
H -4.559977 -1.277502 -1.409174
H -3.295808 -0.210260 -2.093715
H -2.273209 -3.076338 1.069997
H -2.361349 -3.568257 -0.654760
H -3.853995 -3.146401 0.227995
H -3.726323 2.607464 2.302651
H -2.665857 1.292648 2.897739
H -4.426832 1.026009 2.742622
H -4.530017 1.224670 -1.073558
H -4.808750 2.518013 0.117469
H -5.515702 0.901630 0.379931
H -1.213120 1.517493 0.821266
H -1.929451 1.448389 -0.834687
H -2.263297 2.837782 0.232316


%chk=000208369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208369

1 1
O -0.400364 -1.318603 0.410845
O -0.689885 -0.743752 -1.816015
N 2.783723 0.393151 -0.805513
C 3.325493 1.830218 -0.567387
C 3.916172 -0.620871 -0.514442
C 1.548025 0.161537 0.090016
C 3.966685 2.024632 0.816553
C 4.510620 -0.457164 0.892439
C 5.061387 0.971771 1.101492
C 2.371393 0.285981 -2.275806
C 1.048994 -1.303839 0.131010
C -2.706970 -1.270171 -0.436228
C -3.172708 -0.596103 0.904942
C -3.294364 0.959735 1.062575
C -1.222408 -1.048343 -0.722260
C -3.517182 -0.847019 -1.685737
C -2.864366 -2.820902 -0.241242
C -3.438004 1.228104 2.590094
C -4.558829 1.532951 0.363660
C -2.033233 1.705654 0.551351
H 2.474350 2.514480 -0.728096
H 4.068568 2.000973 -1.367020
H 4.689307 -0.431367 -1.280719
H 3.504359 -1.628589 -0.686034
H 1.799676 0.512810 1.100828
H 0.756863 0.807671 -0.321168
H 3.201441 2.012037 1.614777
H 4.398201 3.042318 0.828924
H 5.319643 -1.203022 0.995527
H 3.763298 -0.704627 1.670549
H 5.924901 1.136773 0.427370
H 5.436744 1.088439 2.132329
H 3.274149 0.365321 -2.900570
H 1.856550 -0.666863 -2.456642
H 1.673343 1.103739 -2.509282
H 1.232894 -1.830604 -0.822669
H 1.492106 -1.869640 0.964457
H -4.169646 -1.027145 1.127603
H -2.493590 -0.964391 1.698418
H -3.269059 -1.492568 -2.545870
H -4.596050 -0.945533 -1.476693
H -3.312010 0.193009 -1.985804
H -2.342300 -3.166958 0.666703
H -2.475547 -3.377869 -1.113090
H -3.938329 -3.057191 -0.141504
H -3.587423 2.305900 2.786246
H -2.538258 0.899306 3.144158
H -4.308267 0.688006 3.007300
H -4.509472 1.465253 -0.735183
H -4.685485 2.600199 0.625264
H -5.468333 0.999172 0.697128
H -1.128414 1.340781 1.075634
H -1.894574 1.583771 -0.540091
H -2.125812 2.789239 0.752374


