%chk=000216347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216347

0 1
O 3.458211 -0.392906 0.424589
O 3.351874 1.183503 -1.276008
N -3.603486 0.481149 0.562784
N 5.343993 0.128328 -0.645047
C -1.482518 0.016678 -0.678094
C -2.663997 -0.618193 0.171388
C -1.731954 1.542842 -0.636123
C -2.023893 -1.229256 1.450822
C -0.230237 -0.361997 0.090125
C -2.823239 1.755567 0.431819
C -0.544333 -1.061081 1.280195
C -1.445056 -0.528392 -2.102173
C -4.853888 0.475797 -0.266893
C 1.086749 -0.090195 -0.256302
C 0.461513 -1.496051 2.137481
C 2.077238 -0.542480 0.625881
C -5.899726 1.394931 0.365655
C 1.799106 -1.235127 1.811197
C 3.986490 0.422787 -0.583119
C 6.243646 1.071686 -1.342887
H -3.183622 -1.416222 -0.398995
H -2.060524 1.919985 -1.618415
H -0.811604 2.098330 -0.389895
H -2.311027 -2.286909 1.571991
H -2.386074 -0.706626 2.359997
H -2.364921 1.950829 1.425722
H -3.472763 2.618028 0.199613
H -0.645628 -0.056038 -2.687222
H -1.252521 -1.608203 -2.113804
H -2.388191 -0.351265 -2.629749
H -4.672753 0.770752 -1.322667
H -5.247168 -0.565307 -0.284385
H 1.338726 0.458958 -1.165374
H 0.220805 -2.031039 3.053657
H -6.026063 1.166611 1.433077
H -5.614540 2.450499 0.297047
H -6.872788 1.277141 -0.121245
H 2.610965 -1.559912 2.456347
H 5.759496 -0.459391 0.075743
H 7.043097 0.499835 -1.845899
H 6.700706 1.801966 -0.654464
H 5.690599 1.634887 -2.120967


%chk=000216347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216347

0 1
O 3.458888 -0.280195 0.483331
O 3.385978 1.094143 -1.473131
N -3.557348 0.525964 0.549378
N 5.381244 0.498444 -0.386677
C -1.526859 -0.130065 -0.761533
C -2.738086 -0.661455 0.140836
C -1.784720 1.409386 -0.849009
C -2.102429 -1.400221 1.367516
C -0.286538 -0.455747 0.071763
C -2.637129 1.698772 0.415680
C -0.607868 -1.164763 1.252808
C -1.469695 -0.799419 -2.155415
C -4.839637 0.679118 -0.193586
C 1.046926 -0.118891 -0.249293
C 0.419940 -1.552212 2.140931
C 2.059916 -0.515947 0.653657
C -5.819448 1.620139 0.532163
C 1.759743 -1.227801 1.839830
C 4.016253 0.504703 -0.561083
C 6.283304 1.211849 -1.292969
H -3.380608 -1.354031 -0.432656
H -2.364319 1.644993 -1.762555
H -0.845871 1.989629 -0.880131
H -2.341544 -2.481718 1.354022
H -2.530603 -0.986869 2.298890
H -1.985359 1.754402 1.308569
H -3.207406 2.641072 0.357871
H -0.633212 -0.397289 -2.756846
H -1.322909 -1.891836 -2.068402
H -2.407458 -0.618188 -2.714024
H -4.693018 1.036636 -1.244868
H -5.300073 -0.324386 -0.262344
H 1.301555 0.435416 -1.154291
H 0.188642 -2.100445 3.061292
H -6.009582 1.251317 1.555164
H -5.417807 2.646715 0.611185
H -6.780361 1.676531 -0.013090
H 2.580705 -1.512864 2.504703
H 5.748612 -0.026287 0.407132
H 6.986546 0.517186 -1.788527
H 6.862377 1.985842 -0.756065
H 5.669958 1.702871 -2.064825


