%chk=000202392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202392

0 1
O 1.563666 -1.201882 -0.124444
O 0.988334 2.999563 0.134247
N -3.680955 1.505031 0.108517
N 0.038088 0.922494 -0.384333
C -4.373838 0.435438 -0.669090
C -4.610717 1.748089 1.247871
C -5.028165 -0.529449 0.383764
C -5.187173 0.349483 1.668543
C -2.294053 1.147191 0.503388
C -1.303357 1.454999 -0.648912
C 1.097341 1.727516 -0.003717
C 2.426920 1.032682 0.227762
C 2.668339 -0.371052 0.164328
C 0.364497 -3.288017 -0.410842
C 1.741730 -2.668513 -0.159792
C -0.235068 -2.964981 -1.798944
C 3.523336 1.878718 0.531382
C 3.966737 -0.892998 0.390710
C -1.644546 -3.566420 -1.982686
C 4.817999 1.372070 0.761141
C 5.037274 -0.021355 0.687197
H -3.670895 -0.076964 -1.348302
H -5.160141 0.904148 -1.291083
H -5.434084 2.397872 0.892833
H -4.093328 2.275802 2.066460
H -5.995572 -0.920438 0.022457
H -4.374745 -1.398496 0.581164
H -4.609484 -0.075180 2.508861
H -6.239588 0.426094 1.994150
H -2.006277 1.754875 1.379731
H -2.187022 0.072779 0.800471
H -1.688303 1.024274 -1.593577
H -1.223044 2.545485 -0.778599
H 0.215373 -0.087532 -0.434884
H 0.465567 -4.387166 -0.300828
H -0.327169 -2.953046 0.387243
H 2.454769 -2.928669 -0.968924
H 2.156685 -3.004018 0.811706
H -0.276601 -1.867547 -1.938193
H 0.442192 -3.351276 -2.587406
H 3.306703 2.951233 0.577914
H 4.152559 -1.968611 0.336124
H -2.348245 -3.168446 -1.226773
H -2.054081 -3.330832 -2.981473
H -1.626630 -4.667554 -1.876309
H 5.643599 2.052610 0.992152
H 6.036767 -0.436503 0.858894


%chk=000202392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202392

0 1
O 1.575209 -1.207683 -0.121226
O 1.006029 3.009691 0.135986
N -3.683640 1.533357 0.151774
N 0.030640 0.958465 -0.384245
C -4.398883 0.549198 -0.714588
C -4.598652 1.693742 1.316891
C -5.160908 -0.444578 0.243953
C -5.144785 0.263886 1.637490
C -2.300776 1.122659 0.505664
C -1.309120 1.507146 -0.621779
C 1.101564 1.746112 -0.009015
C 2.430399 1.043370 0.209445
C 2.674230 -0.364764 0.152848
C 0.393134 -3.309539 -0.361747
C 1.766819 -2.673083 -0.133312
C -0.221901 -3.014846 -1.749650
C 3.529873 1.890594 0.497247
C 3.974228 -0.882921 0.371465
C -1.630533 -3.625662 -1.907334
C 4.826195 1.385348 0.718211
C 5.045623 -0.008269 0.652105
H -3.689710 0.034869 -1.386284
H -5.125494 1.092475 -1.347505
H -5.435062 2.355318 1.016853
H -4.075526 2.171827 2.161833
H -6.192030 -0.615228 -0.113063
H -4.662300 -1.429270 0.289660
H -4.460049 -0.256329 2.331901
H -6.142663 0.293134 2.109206
H -1.998986 1.651595 1.427428
H -2.210702 0.025347 0.713005
H -1.691902 1.140521 -1.594410
H -1.227459 2.603832 -0.679803
H 0.195156 -0.053741 -0.440769
H 0.505377 -4.405696 -0.234819
H -0.294556 -2.967697 0.436964
H 2.475368 -2.940209 -0.944050
H 2.193423 -2.987683 0.840061
H -0.270472 -1.920458 -1.908774
H 0.449129 -3.412545 -2.537718
H 3.313748 2.963468 0.540157
H 4.160739 -1.959033 0.322565
H -2.330405 -3.208762 -1.157870
H -2.047556 -3.419402 -2.909480
H -1.608109 -4.723291 -1.770280
H 5.653747 2.067498 0.937063
H 6.046938 -0.421264 0.817847


