%chk=000272461.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272461

0 1
O 1.657166 -0.120566 -1.841515
O 2.275327 -2.191137 -1.145999
O -3.852679 -2.478938 1.696044
O -1.717578 -2.637442 1.969851
O -4.582432 2.194789 -2.250971
O -5.831376 0.819422 -1.140192
N -0.077239 -1.085297 0.699149
N -2.714489 -2.120577 1.460867
N -4.747190 1.266545 -1.475169
C -1.211921 -0.524160 0.174179
C -2.512202 -1.017406 0.533018
C 1.251981 -0.609409 0.406376
C -1.133391 0.574833 -0.746214
C -3.665170 -0.420393 -0.019259
C -3.548125 0.643493 -0.903546
C -2.263943 1.142706 -1.270243
C 1.939538 0.135334 1.286967
C 3.317342 0.613077 1.098621
C 4.254549 0.406431 2.126112
C 3.697023 1.293570 -0.068715
C 1.800145 -1.115769 -0.899156
C 5.563579 0.867994 1.975409
C 5.006339 1.761640 -0.206651
C 5.940472 1.547743 0.811480
C 2.116917 -0.427324 -3.188376
H -0.140570 -1.903241 1.348923
H -0.145099 0.946487 -1.042722
H -4.662938 -0.807370 0.260704
H -2.209755 1.982934 -1.976219
H 1.480737 0.421989 2.245617
H 3.965612 -0.121739 3.034233
H 2.968752 1.458916 -0.866537
H 6.292997 0.699267 2.767542
H 5.298910 2.294056 -1.111229
H 6.962009 1.910284 0.699752
H 3.198324 -0.596657 -3.172733
H 1.848539 0.477718 -3.743647
H 1.590440 -1.310303 -3.565850


%chk=000272461-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272461

0 1
O 1.914674 0.936507 -1.622815
O 1.099212 -1.240171 -1.849638
O -3.611980 -2.747300 1.911128
O -1.436136 -2.254337 2.360990
O -5.193700 1.314194 -2.599454
O -6.194229 -0.253208 -1.269706
N -0.132077 -0.612225 0.805159
N -2.542819 -2.072878 1.674204
N -5.163482 0.417838 -1.665798
C -1.351422 -0.355511 0.215542
C -2.550429 -1.062280 0.613782
C 1.138353 -0.163310 0.354311
C -1.495260 0.640715 -0.807900
C -3.792323 -0.813494 -0.007172
C -3.867150 0.150936 -1.018396
C -2.721401 0.892217 -1.417276
C 2.098571 0.172087 1.280319
C 3.538912 0.385118 1.082043
C 4.233174 1.218453 2.006896
C 4.288366 -0.245858 0.045971
C 1.379604 -0.252637 -1.131713
C 5.615838 1.455411 1.873287
C 5.672677 -0.016308 -0.080334
C 6.341641 0.842403 0.824815
C 2.293853 0.932699 -3.058451
H -0.194860 -1.255073 1.618409
H -0.625389 1.243016 -1.082834
H -4.679984 -1.369914 0.304131
H -2.828711 1.659607 -2.188207
H 1.748673 0.259791 2.319847
H 3.675353 1.692817 2.823533
H 3.798904 -0.958122 -0.627460
H 6.128892 2.108209 2.587542
H 6.236771 -0.521326 -0.872151
H 7.418694 1.015568 0.725587
H 3.203297 0.323228 -3.196117
H 2.489483 1.986054 -3.299867
H 1.477010 0.518585 -3.672307


