%chk=000195439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195439

0 1
O -5.205604 -1.197438 0.486293
O -5.385340 1.308729 0.530219
N 5.869241 0.281754 0.157204
N 6.184497 -1.050994 -0.121761
C 0.173797 -0.299993 -0.203475
C -0.750480 0.923338 0.067424
C -2.141107 0.601567 -0.500810
C -2.768712 -0.637064 0.217894
C 1.619645 -0.052164 0.343726
C 2.168249 1.253006 -0.343114
C -4.219783 -0.634331 -0.387558
C -0.438685 -1.602163 0.361083
C -1.885317 -1.852784 -0.100187
C -0.169835 2.194660 -0.574654
C -3.233233 1.680896 -0.419006
C 1.253014 2.459776 -0.074287
C 2.516380 -1.287066 -0.031943
C -4.550386 0.899875 -0.568321
C 3.632344 1.617604 0.032266
C 3.880559 -0.822687 -0.512602
C -2.872338 -0.450321 1.740017
C 4.375574 0.342690 0.403860
C 1.602918 0.104006 1.873725
C -4.401436 -1.419021 -1.676928
C 5.114926 -1.711369 -0.497250
H 0.255114 -0.419143 -1.312433
H -0.827929 1.084720 1.169594
H -2.007178 0.344649 -1.583284
H 2.154075 1.055908 -1.445604
H -0.403545 -1.578595 1.469052
H 0.182549 -2.467266 0.061082
H -1.895818 -2.071374 -1.183867
H -2.287216 -2.757078 0.393999
H -0.815742 3.062011 -0.340612
H -0.173997 2.105625 -1.677495
H -3.220256 2.212245 0.553008
H -3.120567 2.453497 -1.193532
H 1.662461 3.359182 -0.572559
H 1.236249 2.694991 1.007711
H 2.034601 -1.894868 -0.820108
H 2.612591 -1.962564 0.837237
H -5.080017 1.113944 -1.513769
H 4.118506 2.128573 -0.821013
H 3.662105 2.337767 0.869125
H 3.781418 -0.457659 -1.571364
H -1.893713 -0.235631 2.185679
H -3.533164 0.388471 2.000595
H -3.259080 -1.355808 2.221228
H 4.158404 0.105665 1.482897
H 2.620398 0.176822 2.280563
H 1.065288 1.009438 2.178333
H 1.111512 -0.745954 2.360690
H -4.234687 -2.491554 -1.502882
H -5.432449 -1.332473 -2.045547
H -3.722032 -1.085258 -2.466220
H -5.203664 -0.731871 1.357698
H 5.115787 -2.738704 -0.824650
H 6.452604 0.656832 0.911497
H -6.272594 0.892553 0.439333


%chk=000195439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195439

0 1
O -5.286534 -1.349237 0.296096
O -5.593826 1.316658 0.353699
N 5.907263 0.268776 -0.237835
N 6.236775 -1.099675 -0.506166
C 0.160077 -0.291630 -0.010508
C -0.771928 0.952930 0.177260
C -2.164126 0.603101 -0.394330
C -2.828110 -0.642466 0.273663
C 1.645587 -0.044069 0.462026
C 2.175883 1.253744 -0.265567
C -4.226475 -0.666057 -0.464975
C -0.475791 -1.572095 0.605739
C -1.900075 -1.861694 0.058580
C -0.175643 2.208940 -0.500393
C -3.279073 1.676776 -0.374617
C 1.268244 2.481246 -0.030636
C 2.538327 -1.288073 0.025046
C -4.582210 0.882151 -0.632274
C 3.671303 1.596980 0.049019
C 3.884292 -0.845443 -0.578108
C -3.083324 -0.438463 1.794880
C 4.491829 0.311469 0.245674
C 1.703658 0.124873 2.008341
C -4.224838 -1.377037 -1.824504
C 5.098153 -1.759500 -0.668873
H 0.218883 -0.461177 -1.113222
H -0.874020 1.171679 1.261318
H -1.989413 0.332882 -1.461393
H 2.115602 1.030833 -1.354295
H -0.520941 -1.476346 1.706753
H 0.171081 -2.446004 0.399391
H -1.822321 -2.088437 -1.023345
H -2.318321 -2.762884 0.548849
H -0.816941 3.087332 -0.293176
H -0.179860 2.062963 -1.602364
H -3.352371 2.158234 0.618428
H -3.127450 2.475761 -1.120050
H 1.687119 3.352508 -0.573473
H 1.270329 2.753891 1.044263
H 1.988023 -1.895582 -0.718575
H 2.717166 -1.938701 0.902372
H -4.974980 1.056877 -1.654714
H 4.090369 2.171143 -0.799428
H 3.733259 2.245629 0.944394
H 3.701525 -0.461922 -1.609651
H -2.154790 -0.207952 2.342211
H -3.793630 0.383871 1.996417
H -3.498101 -1.365855 2.230285
H 4.474574 0.001798 1.318743
H 2.717697 0.393329 2.352235
H 1.016621 0.911144 2.367997
H 1.428163 -0.816000 2.517569
H -4.035194 -2.455602 -1.694296
H -5.214335 -1.264171 -2.302249
H -3.460887 -0.963734 -2.506824
H -5.461663 -0.794373 1.101831
H 5.121997 -2.807959 -0.972064
H 6.636348 0.724920 0.320240
H -6.474071 0.957302 0.070781


