%chk=000259557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259557

0 1
O -2.861054 1.333827 -0.000067
N -0.293207 2.056835 0.000586
C 0.448635 -0.314642 0.000039
C 0.027819 -1.693944 -0.000477
C 1.813487 0.160318 0.000488
C -0.561820 0.696642 0.000145
C -1.955983 0.306412 -0.000180
C -1.316453 -2.010221 -0.000721
C 2.060822 1.519115 0.000869
C -2.327706 -1.018818 -0.000564
C 0.994089 -2.836598 -0.000767
C 2.995442 -0.752728 0.000534
C 0.976828 2.444705 0.000897
H -1.635444 -3.053544 -0.001032
H 3.076962 1.907209 0.001136
H -3.370219 -1.320252 -0.000778
H 0.487704 -3.812005 -0.001319
H 1.637913 -2.818514 -0.892263
H 1.637499 -2.819342 0.891046
H 3.002755 -1.400315 -0.889920
H 3.949853 -0.207493 0.001065
H 3.002125 -1.401015 0.890484
H 1.171295 3.524347 0.001211
H -3.792442 0.993223 -0.000311


%chk=000259557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259557

0 1
O -2.910167 1.381288 -0.000064
N -0.318969 2.076501 0.000632
C 0.454168 -0.323108 0.000059
C 0.041329 -1.718587 -0.000449
C 1.831271 0.156180 0.000466
C -0.579405 0.715684 0.000181
C -1.975971 0.342975 -0.000185
C -1.331329 -2.005511 -0.000770
C 2.052093 1.542023 0.000914
C -2.340258 -1.005212 -0.000639
C 0.985320 -2.915726 -0.000665
C 3.065434 -0.732625 0.000425
C 0.965767 2.461697 0.000981
H -1.646804 -3.055493 -0.001137
H 3.077195 1.928709 0.001221
H -3.397471 -1.301130 -0.000907
H 0.395515 -3.848601 -0.001204
H 1.639283 -2.942966 -0.890317
H 1.638787 -2.943688 0.889331
H 3.111364 -1.385064 -0.888698
H 3.973751 -0.106212 0.000922
H 3.110898 -1.385806 0.889022
H 1.153973 3.542343 0.001334
H -3.826875 1.005531 -0.000351


