%chk=000216218.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216218

0 1
O -2.466991 -1.419185 0.112360
O 0.365683 2.022131 -1.418581
O 3.842595 -2.683441 -0.646910
O 5.329018 1.555927 0.642702
O 5.698297 -1.178152 0.322059
N -3.546142 2.646653 0.095553
N -0.439851 0.481878 0.065088
C -3.832162 3.049818 -1.323935
C -3.979691 3.819550 0.928429
C -3.812165 4.592263 -1.401179
C -3.903981 5.089642 0.052865
C -2.102295 2.313899 0.305760
C -1.868812 0.847981 -0.145793
C -2.769414 -0.101778 0.663733
C 0.579783 1.076352 -0.676581
C 1.947743 0.492436 -0.435306
C -3.205682 -2.493227 0.557392
C 2.961555 1.347851 -0.006730
C 2.171673 -0.868448 -0.662477
C -2.850337 -3.698680 -0.083803
C -4.199488 -2.441417 1.541602
C 3.459364 -1.382948 -0.452209
C 4.245193 0.823190 0.220743
C 4.511522 -0.549281 0.009170
C -3.513558 -4.864574 0.284050
C -4.848275 -3.632619 1.888703
C -4.511842 -4.837724 1.270131
C 2.828706 -3.620978 -1.091242
C 5.151778 2.986671 0.805394
C 6.878330 -0.601689 -0.301745
H -3.122101 2.592003 -2.037496
H -4.841040 2.654959 -1.567616
H -5.028780 3.615185 1.232869
H -3.387878 3.916064 1.855438
H -4.647001 4.970185 -2.012289
H -2.886150 4.950119 -1.882751
H -3.024840 5.700966 0.315690
H -4.786683 5.730741 0.205589
H -1.841143 2.425345 1.378290
H -1.405042 2.979567 -0.257670
H -2.107077 0.744958 -1.240438
H -3.838378 0.134256 0.495648
H -2.542709 -0.109308 1.741820
H -0.262744 -0.347499 0.630686
H 2.751437 2.405100 0.135069
H 1.368171 -1.505107 -1.020015
H -2.079508 -3.692582 -0.848672
H -4.474477 -1.512913 2.028958
H -3.256751 -5.807479 -0.198831
H -5.625650 -3.612412 2.652783
H -5.022083 -5.755879 1.548374
H 3.409021 -4.551771 -1.153502
H 2.033407 -3.705703 -0.345514
H 2.444387 -3.331855 -2.073323
H 6.157591 3.297876 1.116000
H 4.871000 3.447940 -0.146018
H 4.419164 3.190046 1.591736
H 7.043295 0.414392 0.075448
H 6.776759 -0.617093 -1.388665
H 7.662647 -1.287203 0.037855


%chk=000216218-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216218

0 1
O -2.456032 -1.506583 -0.260556
O 0.321468 2.152593 -1.157605
O 3.789774 -2.530194 0.774548
O 5.459616 1.790164 -0.411445
O 5.846537 -0.846159 0.472267
N -3.625516 2.654503 0.043621
N -0.507224 0.514694 0.261830
C -3.433368 3.426748 -1.227874
C -4.386496 3.599887 0.911048
C -3.286395 4.942169 -0.826519
C -3.768705 5.011642 0.659094
C -2.337010 2.191353 0.628183
C -1.913644 0.844355 -0.025314
C -2.834332 -0.276750 0.456721
C 0.530638 1.142874 -0.403693
C 1.909368 0.583826 -0.180485
C -3.199894 -2.671402 -0.002984
C 2.999722 1.445635 -0.425329
C 2.135742 -0.753050 0.231022
C -2.793727 -3.821060 -0.726185
C -4.284814 -2.743425 0.906279
C 3.459965 -1.220813 0.405380
C 4.320669 0.988330 -0.232950
C 4.572227 -0.352741 0.185276
C -3.471622 -5.041156 -0.536099
C -4.954418 -3.976929 1.085410
C -4.555961 -5.128486 0.372377
C 2.683299 -3.451729 1.040764
C 5.242632 3.192155 -0.783930
C 6.855667 -0.801530 -0.608219
H -2.552327 3.051124 -1.774330
H -4.325031 3.285725 -1.866324
H -5.445903 3.592211 0.587069
H -4.352158 3.279587 1.966630
H -3.903842 5.579759 -1.483714
H -2.240719 5.280787 -0.923879
H -2.912740 5.178984 1.338070
H -4.497412 5.822955 0.832349
H -2.471619 2.045116 1.717834
H -1.504612 2.912153 0.483041
H -2.020159 0.949658 -1.122062
H -3.877725 0.013521 0.232592
H -2.724689 -0.440160 1.551885
H -0.311839 -0.291074 0.856293
H 2.775143 2.459805 -0.765981
H 1.298663 -1.449067 0.340535
H -1.959844 -3.731762 -1.429587
H -4.615874 -1.862761 1.464433
H -3.155730 -5.925839 -1.100298
H -5.794490 -4.030745 1.787220
H -5.081411 -6.078122 0.517117
H 3.165526 -4.397579 1.327315
H 2.047565 -3.090985 1.873110
H 2.059430 -3.610906 0.139159
H 6.249638 3.630580 -0.843136
H 4.737829 3.274872 -1.765267
H 4.647540 3.720495 -0.015166
H 7.073659 0.238826 -0.900966
H 6.504254 -1.381488 -1.482797
H 7.748112 -1.279593 -0.177080


