%chk=000258547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258547

0 1
O 2.245406 -0.685146 -2.169848
O -1.124536 2.264209 -0.274656
N 3.395477 0.995285 -1.198215
N -2.791998 1.774032 1.162971
N 1.909671 0.864944 2.063982
N -3.247050 -1.674903 0.397455
C -0.114733 -0.442293 -0.527775
C 0.302846 -1.912873 -0.302663
C 1.097970 0.548221 -0.394699
C -1.215831 -0.039400 0.531045
C -0.696196 -0.295791 -1.938477
C 0.863539 -2.249417 1.071738
C 2.266870 0.191214 -1.324749
C -1.689097 1.417669 0.400257
C 1.554517 0.707993 0.975202
C -2.348504 -0.950836 0.449852
H -0.562423 -2.573696 -0.518962
H 1.055641 -2.184660 -1.082200
H 0.704814 1.568867 -0.747667
H -0.751790 -0.150813 1.559521
H 0.045785 -0.579500 -2.704910
H -1.567255 -0.940684 -2.099764
H -1.006151 0.734819 -2.157780
H 0.248668 -1.861615 1.891263
H 0.921123 -3.338624 1.206332
H 1.882830 -1.867910 1.207544
H 3.502921 1.712341 -0.502436
H 4.201713 0.810570 -1.779246
H -3.347232 1.122574 1.691111
H -3.150295 2.718524 1.101774


%chk=000258547-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258547

0 1
O 2.035641 0.029634 -2.666161
O -1.081960 2.490686 0.210792
N 3.518015 0.230538 -0.901563
N -3.145083 1.548539 0.673178
N 2.017327 1.278795 1.951506
N -2.967312 -1.809150 1.072553
C -0.128126 -0.304267 -0.508256
C 0.356521 -1.781944 -0.351237
C 1.098099 0.720095 -0.488403
C -1.120652 0.072048 0.680124
C -0.883465 -0.170142 -1.857307
C 1.059662 -2.172668 0.967769
C 2.254411 0.286834 -1.447337
C -1.785258 1.476513 0.492638
C 1.588913 1.019314 0.866741
C -2.123963 -0.983618 0.889215
H -0.525686 -2.435583 -0.493030
H 1.027128 -1.995550 -1.204646
H 0.704439 1.678968 -0.880855
H -0.528218 0.150313 1.615892
H -0.211426 -0.425247 -2.691054
H -1.752276 -0.853854 -1.874709
H -1.244621 0.860739 -2.020744
H 0.413755 -2.020453 1.851681
H 1.319288 -3.246197 0.940685
H 1.996547 -1.612667 1.131476
H 3.708346 0.466778 0.072483
H 4.293410 -0.007756 -1.520215
H -3.715250 0.730708 0.890281
H -3.591508 2.461694 0.584503


