%chk=000202754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202754

0 1
O -2.175260 -0.153200 -2.310527
O 1.241527 0.733587 1.243777
N -1.659189 1.775398 -1.225962
N -3.303277 3.898228 -0.155667
N 0.282039 -1.048463 -0.877983
C -2.544610 2.575072 -2.119656
C -1.240450 2.530780 -0.017420
C -3.767012 3.102516 -1.341332
C -2.470611 3.044587 0.756422
C -0.900554 -0.418159 -0.261166
C -1.660265 0.389587 -1.341377
C -1.785225 -1.452729 0.404951
C -4.473715 4.457244 0.583472
C 1.625068 -0.801948 -0.505362
C 0.256670 -1.980507 -1.897000
C -1.602039 -1.690908 1.776782
C -2.751839 -2.175913 -0.305218
C 2.429051 -1.631249 -1.319754
C 1.584161 -2.355922 -2.181210
C 2.039628 0.132864 0.532533
C -2.388424 -2.641946 2.430666
C -3.536877 -3.125550 0.354960
C 3.512139 0.341522 0.712677
C -3.357551 -3.359974 1.721379
C 4.308689 0.761554 -0.361022
C 4.077891 0.149948 1.980327
C 5.675249 0.978959 -0.165865
C 5.447200 0.359638 2.167200
C 6.244965 0.773877 1.095541
H -2.873161 1.949684 -2.982558
H -1.946840 3.422813 -2.525066
H -0.614409 3.391626 -0.354100
H -0.588699 1.904341 0.644419
H -4.351961 3.780198 -2.000725
H -4.436037 2.258314 -1.068186
H -3.032502 2.192731 1.195169
H -2.128036 3.679238 1.603227
H -0.524010 0.299195 0.554808
H -5.036573 5.124180 -0.090022
H -4.107355 5.080846 1.415381
H -5.169516 3.709315 0.991129
H -0.660983 -2.305463 -2.366996
H -0.841177 -1.140045 2.331778
H -2.898732 -1.992392 -1.375706
H 3.500669 -1.696124 -1.276262
H 1.886702 -3.067643 -2.923308
H -2.243951 -2.826180 3.494051
H -4.288826 -3.684317 -0.200566
H -3.969085 -4.101253 2.232866
H 3.862361 0.923314 -1.343074
H 3.447834 -0.156877 2.815985
H 6.296384 1.308799 -0.997201
H 5.890711 0.205084 3.149575
H 7.311312 0.940122 1.243818


%chk=000202754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202754

0 1
O -1.209523 0.389882 -2.572498
O 1.711656 0.287677 1.525119
N -1.716740 1.922979 -0.898770
N -3.927650 3.572816 -0.073804
N 0.516872 -1.041444 -0.855666
C -2.379211 2.829775 -1.865135
C -1.815650 2.393912 0.501090
C -3.848645 3.055249 -1.460966
C -3.294439 2.630289 0.877849
C -0.552537 -0.196195 -0.267700
C -1.174113 0.730115 -1.345711
C -1.627166 -1.044036 0.430815
C -5.303261 3.932821 0.320291
C 1.896541 -0.978699 -0.524134
C 0.335299 -1.966559 -1.865314
C -1.419466 -1.429007 1.780097
C -2.804175 -1.462631 -0.237933
C 2.556328 -1.920344 -1.361291
C 1.581360 -2.538070 -2.190370
C 2.446411 -0.191593 0.578504
C -2.375472 -2.223980 2.449306
C -3.759253 -2.259577 0.432376
C 3.930815 0.052298 0.627698
C -3.548022 -2.642516 1.777024
C 4.723289 0.229376 -0.538535
C 4.537937 0.193139 1.904637
C 6.100711 0.521037 -0.425214
C 5.915227 0.469355 2.015850
C 6.702268 0.632132 0.849626
H -2.303453 2.372326 -2.864175
H -1.847134 3.800661 -1.863534
H -1.263203 3.349200 0.594226
H -1.374725 1.665833 1.196176
H -4.302788 3.797462 -2.143440
H -4.410525 2.092518 -1.577090
H -3.823196 1.642567 0.902528
H -3.340021 3.065443 1.893494
H -0.031958 0.392947 0.503548
H -5.703607 4.688217 -0.379337
H -5.296026 4.375373 1.332494
H -6.005507 3.061283 0.328734
H -0.645403 -2.133081 -2.300423
H -0.504569 -1.105945 2.291209
H -2.971637 -1.165964 -1.280416
H 3.617374 -2.157331 -1.313633
H 1.747692 -3.311556 -2.937530
H -2.207045 -2.517649 3.491526
H -4.665544 -2.581891 -0.092776
H -4.289318 -3.260304 2.296394
H 4.255721 0.174922 -1.526833
H 3.907647 0.087656 2.793737
H 6.700876 0.670445 -1.329628
H 6.376436 0.562707 3.005304
H 7.772023 0.854357 0.934803


