%chk=000216337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216337

0 1
O -2.118518 -1.894670 1.365458
O -6.323472 -0.853741 -0.241039
N 3.345864 -0.501322 -0.679598
N -1.250557 0.928435 0.423888
N -4.716325 0.777741 -0.468374
N -2.754773 2.340022 -0.571990
N -4.215826 -1.379894 0.559512
C 4.745171 -0.477853 -0.106390
C 5.796884 -0.609942 -1.231186
C 4.943870 0.875491 0.619417
C 7.219122 -0.491449 -0.666631
C 6.360587 0.990421 1.192339
C 7.417632 0.827062 0.092130
C 2.307483 -0.500749 0.405859
C 1.044709 0.184395 -0.147343
C 3.121870 -1.665323 -1.588622
C 0.002646 0.367805 0.963203
C -2.476796 0.244936 0.363151
C -3.389020 1.145959 -0.257179
C -1.456394 2.174282 -0.151094
C -2.835665 -1.077620 0.818318
C -5.169312 -0.513943 -0.061737
C -5.659556 1.722776 -1.113699
C -4.737025 -2.713863 0.968514
H 4.897340 -1.313196 0.624339
H 5.622345 0.175157 -1.992993
H 5.693148 -1.577510 -1.754780
H 4.197291 0.990828 1.429403
H 4.749187 1.702312 -0.091959
H 7.952513 -0.564637 -1.491766
H 7.429615 -1.345684 0.005269
H 6.515036 0.226260 1.978050
H 6.483691 1.970209 1.690920
H 8.431693 0.863539 0.530910
H 7.357093 1.677756 -0.613914
H 2.063982 -1.519297 0.777064
H 2.685156 0.071360 1.284963
H 0.621383 -0.415709 -0.979148
H 1.323155 1.156787 -0.602330
H 3.406941 -2.640206 -1.166646
H 3.689936 -1.503095 -2.519422
H 2.059307 -1.715022 -1.877103
H 0.384658 1.040380 1.765013
H -0.228540 -0.619282 1.449715
H -0.690113 2.933219 -0.254366
H -6.661409 1.260763 -1.202604
H -5.297836 1.993484 -2.121927
H -5.742032 2.647627 -0.515029
H -3.931689 -3.303603 1.445553
H -5.112702 -3.265225 0.089195
H -5.568846 -2.598073 1.684884


%chk=000216337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216337

0 1
O -1.575711 -1.940084 0.531699
O -5.824027 -0.977798 -1.277321
N 3.133366 -0.671397 -0.141828
N -1.381718 1.134349 1.097758
N -4.584574 0.829202 -0.436138
N -3.088833 2.551723 0.525466
N -3.706901 -1.421824 -0.372123
C 4.592921 -0.413668 0.092814
C 5.496726 -1.220137 -0.872888
C 4.900229 1.100135 -0.073757
C 6.996014 -0.904853 -0.649404
C 6.393953 1.424630 0.162865
C 7.296195 0.604623 -0.786708
C 2.268015 -0.159644 0.953521
C 0.907837 0.345545 0.421882
C 2.777858 -2.072590 -0.465106
C -0.064422 0.661645 1.578269
C -2.381336 0.348857 0.498971
C -3.409565 1.249589 0.167853
C -1.852054 2.435584 1.082436
C -2.460499 -1.068592 0.254373
C -4.772072 -0.541655 -0.729181
C -5.643027 1.801796 -0.771395
C -3.938553 -2.850072 -0.689503
H 4.877235 -0.717791 1.137873
H 5.212562 -0.969881 -1.915964
H 5.337006 -2.305785 -0.739842
H 4.277599 1.705073 0.612932
H 4.609066 1.386996 -1.104071
H 7.605684 -1.486521 -1.367739
H 7.291748 -1.242647 0.365914
H 6.663330 1.192127 1.214537
H 6.568099 2.508938 0.021541
H 8.364564 0.804815 -0.575618
H 7.107401 0.921604 -1.833188
H 2.092152 -0.950221 1.727705
H 2.786130 0.669979 1.467816
H 0.448689 -0.430312 -0.215166
H 1.070800 1.241332 -0.205286
H 3.085590 -2.803035 0.325352
H 3.229856 -2.381259 -1.421001
H 1.682794 -2.150899 -0.578137
H 0.345331 1.448537 2.238802
H -0.227832 -0.249571 2.180070
H -1.278558 3.268661 1.481956
H -6.470278 1.245559 -1.235260
H -5.251811 2.559505 -1.470600
H -5.989812 2.312293 0.142524
H -3.048223 -3.406662 -0.362940
H -4.099315 -2.974965 -1.772726
H -4.836722 -3.213137 -0.163845


