%chk=000240786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240786

0 1
O 0.362307 0.751939 -1.069226
O -0.010892 -4.127752 -0.826766
N 2.282369 0.576503 0.182934
N 0.753016 -1.951747 -1.137101
N 4.297863 0.257429 1.274127
N 2.613397 -3.186731 -0.309181
N 4.462757 -2.200146 0.927664
C -1.338228 3.022629 0.708746
C -0.254590 3.387662 -0.313662
C -2.654095 3.748835 0.399000
C -2.838060 -1.875612 -0.620308
C 1.107322 2.765598 0.031563
C -2.118901 -1.575019 -1.941468
C -3.756904 -0.717824 -0.210908
C -1.214132 -2.730180 -2.383282
C -3.720828 3.463635 1.464181
C -4.428842 -0.989872 1.142401
C 1.164307 1.305354 -0.347981
C 2.581765 -0.817994 0.095333
C -0.126536 -3.065533 -1.379119
C 1.967061 -1.988682 -0.444852
C -5.009893 4.233937 1.191329
C 3.843488 -0.998130 0.784741
C -5.353326 0.153101 1.551681
C 3.385790 1.149542 0.920457
C 3.802624 -3.246678 0.363288
H -1.503613 1.926284 0.706620
H -1.001928 3.277683 1.732229
H -0.140773 4.489088 -0.367831
H -0.570657 3.062126 -1.327742
H -2.479076 4.840523 0.333091
H -3.029369 3.444149 -0.597373
H -2.097014 -2.070418 0.180398
H -3.424581 -2.810935 -0.711845
H 1.908854 3.314568 -0.512030
H 1.312147 2.911540 1.114323
H -2.864026 -1.379925 -2.739281
H -1.532116 -0.635805 -1.848166
H -4.529733 -0.554471 -0.986443
H -3.179252 0.225771 -0.159528
H -0.758623 -2.507239 -3.370266
H -1.822209 -3.649747 -2.540528
H -3.334544 3.723966 2.468655
H -3.942982 2.368856 1.498644
H -3.657181 -1.145949 1.921825
H -5.002432 -1.936681 1.095271
H -5.440861 3.971360 0.218284
H -4.843505 5.317312 1.193786
H -5.768388 4.019240 1.953103
H 0.430495 -1.010117 -1.446028
H -4.810632 1.114416 1.600609
H -5.794325 -0.025862 2.538176
H -6.177587 0.281745 0.841568
H 3.432245 2.211510 1.140581
H 4.265625 -4.246552 0.446707


%chk=000240786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240786

0 1
O 0.473802 0.865573 -1.116491
O -0.049909 -4.118919 -1.208917
N 2.363194 0.574863 0.216809
N 0.727472 -1.877683 -1.161506
N 4.343461 0.149160 1.328798
N 2.548245 -3.192579 -0.349906
N 4.422606 -2.281829 0.937491
C -1.201210 3.164748 0.550621
C -0.003900 3.560820 -0.343461
C -2.494452 3.927710 0.185876
C -2.925943 -1.909635 -0.482611
C 1.313661 2.852486 0.040563
C -2.248003 -1.377240 -1.765115
C -3.907105 -0.890319 0.138180
C -1.303055 -2.408231 -2.444529
C -3.696923 3.544075 1.078329
C -4.581108 -1.397902 1.433656
C 1.325521 1.373003 -0.335053
C 2.599903 -0.836783 0.093163
C -0.162455 -2.918518 -1.552827
C 1.936367 -1.975298 -0.476096
C -4.986529 4.310073 0.713440
C 3.829323 -1.066301 0.793489
C -5.575834 -0.381294 2.034741
C 3.468396 1.076191 0.978247
C 3.724810 -3.286204 0.332167
H -1.385539 2.075481 0.462388
H -0.949896 3.362726 1.614144
H 0.161724 4.653525 -0.268437
H -0.243431 3.340951 -1.400491
H -2.314030 5.020407 0.266204
H -2.749815 3.730628 -0.876010
H -2.152436 -2.179125 0.265392
H -3.466321 -2.849894 -0.715507
H 2.169883 3.335854 -0.474566
H 1.495999 2.963762 1.126822
H -3.028714 -1.100276 -2.501728
H -1.702461 -0.439665 -1.535705
H -4.691506 -0.634064 -0.605008
H -3.365434 0.055993 0.354758
H -0.869197 -1.960739 -3.361238
H -1.878329 -3.300899 -2.743751
H -3.439180 3.735262 2.140220
H -3.878654 2.453010 0.993312
H -3.798428 -1.640034 2.181022
H -5.108221 -2.349729 1.219220
H -5.281571 4.113162 -0.334446
H -4.844970 5.402004 0.822404
H -5.830139 4.012582 1.362731
H 0.429082 -0.904866 -1.356467
H -5.069428 0.570880 2.284769
H -6.040511 -0.768650 2.959967
H -6.387920 -0.150829 1.319327
H 3.564717 2.132043 1.215991
H 4.157190 -4.288770 0.396028


