%chk=000268823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268823

0 1
O -6.302736 -1.009586 0.735880
O 6.040228 -1.028577 -1.040213
O -1.695686 -2.166984 0.081581
O 0.723490 -2.442647 1.106646
N -3.745859 -0.467052 -0.409710
N 3.731553 -0.188660 0.427624
C -2.702553 0.380705 -1.083150
C 2.591105 -0.402407 1.383984
C -1.362694 0.208883 -0.411789
C 1.254126 -0.161782 0.729618
C -0.444000 1.318004 -0.320488
C 0.855467 1.130652 0.229214
C -4.132029 0.105628 0.923362
C -4.960819 -0.621086 -1.276757
C 3.599346 -1.062799 -0.784402
C 5.030901 -0.482105 1.122921
C -0.957885 -1.016663 0.070899
C 0.356703 -1.202913 0.638347
C -5.149900 -0.834190 1.585335
C -5.959324 -1.543188 -0.557138
C 4.787683 -0.795999 -1.719560
C 6.180921 -0.212374 0.139466
C -0.812214 2.620699 -0.778568
C 1.751233 2.243439 0.272726
C 0.065672 3.675635 -0.710667
C 1.369491 3.482629 -0.183208
H -2.990724 1.458254 -1.123000
H -2.602958 0.045264 -2.143852
H 2.720192 0.322451 2.222013
H 2.602020 -1.421765 1.843051
H -4.559094 1.128302 0.839734
H -3.215647 0.186465 1.549853
H -4.655269 -1.074253 -2.243786
H -5.447502 0.351664 -1.506594
H 2.649759 -0.798907 -1.300382
H 3.543691 -2.143774 -0.532655
H 5.096387 -1.526923 1.496878
H 5.120947 0.190833 2.001023
H -4.715060 -1.823289 1.812778
H -5.592991 -0.394202 2.496744
H -6.938191 -1.575237 -1.068470
H -5.560457 -2.565235 -0.432332
H 4.833786 -1.518777 -2.552351
H 4.779662 0.238156 -2.106677
H 6.221141 0.849385 -0.161265
H 7.156847 -0.537604 0.539266
H -1.814259 2.768413 -1.184435
H 2.762870 2.087848 0.658546
H -0.222679 4.665332 -1.060281
H 2.057678 4.324878 -0.149254
H -2.687567 -1.968868 -0.158883
H -0.030901 -3.093371 0.996079


%chk=000268823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268823

0 1
O -6.334550 -1.204931 0.781330
O 6.163678 -1.109569 -0.977666
O -1.862846 -2.020681 0.025442
O 0.556111 -2.449884 1.012614
N -3.783840 -0.438180 -0.385069
N 3.748301 -0.272330 0.402775
C -2.797098 0.510175 -1.026442
C 2.581815 -0.413650 1.324055
C -1.407927 0.360140 -0.416540
C 1.240201 -0.128956 0.668636
C -0.452097 1.440458 -0.353485
C 0.876211 1.188106 0.187006
C -4.192866 0.027631 0.982955
C -4.991162 -0.667774 -1.238292
C 3.687965 -1.204270 -0.753601
C 5.032149 -0.441217 1.130210
C -1.020423 -0.906008 0.038725
C 0.290757 -1.146652 0.575807
C -5.139938 -1.000526 1.618944
C -5.931115 -1.674081 -0.552172
C 4.880299 -0.947382 -1.687029
C 6.209194 -0.192706 0.172629
C -0.760754 2.764168 -0.814764
C 1.817271 2.269058 0.230513
C 0.177561 3.798894 -0.746133
C 1.479186 3.549043 -0.219273
H -3.173915 1.549816 -0.947064
H -2.767079 0.252783 -2.105016
H 2.742379 0.305804 2.152409
H 2.544209 -1.432458 1.772194
H -4.702491 1.012411 0.906934
H -3.282705 0.148876 1.596864
H -4.662484 -1.065527 -2.216245
H -5.527685 0.291366 -1.409677
H 2.743685 -1.032022 -1.301574
H 3.700000 -2.270850 -0.417106
H 5.126241 -1.467796 1.567819
H 5.073633 0.287505 1.963532
H -4.610364 -1.966711 1.766250
H -5.515806 -0.639658 2.589396
H -6.866075 -1.787356 -1.124040
H -5.428740 -2.662654 -0.469388
H 4.907564 -1.679745 -2.510883
H 4.811703 0.081836 -2.101066
H 6.177720 0.859386 -0.185973
H 7.175152 -0.388024 0.667755
H -1.748547 2.977370 -1.237309
H 2.829721 2.056766 0.584159
H -0.084647 4.800862 -1.104251
H 2.216144 4.358778 -0.179431
H -2.844389 -1.597953 -0.183481
H -0.275407 -2.979379 0.847721


