%chk=000215738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215738

0 1
O -0.348694 0.415881 0.001552
O 6.099748 -0.117279 -0.323999
N 3.306531 0.220246 0.167903
N -2.839209 -1.965282 0.627120
N -1.504731 -1.639612 0.576485
C -4.760258 1.461764 -0.829459
C -3.277322 1.536253 -0.410897
C -5.599063 0.615323 0.143324
C -2.792692 0.194645 -0.013566
C -5.125878 -0.853319 0.197474
C -3.644216 -0.883195 0.278074
C 1.950088 0.810089 -0.059521
C 3.794371 -0.496733 -1.056784
C 4.292690 1.278645 0.565450
C -1.470915 -0.320293 0.185728
C 0.921909 -0.278135 0.275815
C 5.159103 -1.128628 -0.740527
C 5.646379 0.603209 0.840069
H -5.179647 2.482441 -0.892744
H -4.831095 1.033136 -1.848006
H -3.150499 2.243994 0.435466
H -2.664142 1.941647 -1.241394
H -6.664195 0.648820 -0.149982
H -5.538832 1.055719 1.158269
H -5.463182 -1.393809 -0.713015
H -5.593400 -1.370625 1.058326
H 1.782733 1.187822 -1.091460
H 1.784643 1.681712 0.612095
H 3.884200 0.169114 -1.942127
H 3.061448 -1.290700 -1.314713
H 3.925022 1.770168 1.491550
H 4.416072 2.068821 -0.205817
H 0.938610 -0.580792 1.336094
H 0.986590 -1.166969 -0.371768
H 5.081856 -1.895182 0.050802
H 5.643885 -1.548663 -1.638686
H 6.455517 1.337584 0.995450
H 5.588536 -0.094495 1.694366
H -3.110060 -2.895320 0.896153


%chk=000215738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215738

0 1
O -0.362387 0.517832 -0.009010
O 6.188344 -0.205095 -0.340485
N 3.363785 0.269477 0.156883
N -2.805293 -1.922126 0.599918
N -1.451403 -1.564206 0.547628
C -4.870297 1.431421 -0.845880
C -3.378822 1.573299 -0.431623
C -5.673995 0.564184 0.158884
C -2.836215 0.227271 -0.022794
C -5.154569 -0.902081 0.204801
C -3.651224 -0.877773 0.266301
C 2.017639 0.865654 -0.014838
C 3.820626 -0.496167 -1.032653
C 4.394807 1.262791 0.552768
C -1.501649 -0.250535 0.168979
C 0.922618 -0.176412 0.243082
C 5.161143 -1.185678 -0.731673
C 5.725496 0.547802 0.837748
H -5.332513 2.433512 -0.925900
H -4.928785 0.965215 -1.849959
H -3.290342 2.294487 0.406715
H -2.787696 1.996760 -1.265462
H -6.746352 0.564056 -0.113026
H -5.592779 1.011855 1.169159
H -5.495940 -1.442930 -0.701876
H -5.588211 -1.432067 1.075738
H 1.872582 1.310848 -1.028774
H 1.897311 1.684566 0.717675
H 3.945020 0.174200 -1.921056
H 3.068017 -1.263885 -1.290416
H 4.057522 1.785761 1.467600
H 4.559017 2.031217 -0.244832
H 0.954521 -0.540240 1.285922
H 0.998239 -1.051817 -0.429459
H 5.022037 -1.927706 0.084035
H 5.560226 -1.688570 -1.628116
H 6.527640 1.271033 1.059926
H 5.596042 -0.145182 1.697136
H -3.042255 -2.872767 0.870036


