%chk=000229917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229917

0 1
O 1.783808 -0.108974 0.000331
O 0.728382 -2.110278 -0.014269
O -2.922539 1.540527 0.012665
O -5.693632 1.404850 0.012990
N -4.190232 -0.400265 0.001146
N -6.552305 -0.709801 0.000981
C 5.523183 -0.164315 0.006084
C 4.083453 0.360878 0.004553
C 6.534920 0.990442 0.015951
C 3.088604 -0.792517 -0.005043
C 7.972693 0.477394 0.015658
C 0.669219 -0.901242 -0.005327
C -0.535682 -0.026937 0.001471
C -1.760497 -0.557495 -0.002054
C -2.965482 0.336461 0.004893
C -5.494890 0.212123 0.006042
H 5.691059 -0.814797 0.886836
H 5.696599 -0.804732 -0.880911
H 3.901093 1.005953 0.888543
H 3.906640 1.016045 -0.873049
H 6.370788 1.643679 -0.863840
H 6.366920 1.631759 0.903772
H 3.137279 -1.430955 0.892882
H 3.137507 -1.416109 -0.913304
H 8.183194 -0.140388 0.896224
H 8.186139 -0.131313 -0.870500
H 8.688338 1.307808 0.021080
H -0.346813 1.056783 0.009381
H -1.916561 -1.641048 -0.010014
H -4.136753 -1.421340 -0.005312
H -6.448445 -1.705084 -0.005671
H -7.496787 -0.350912 0.003209


%chk=000229917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229917

0 1
O 1.739662 0.117347 -0.008635
O 0.647544 -1.950598 -0.010983
O -3.083762 1.664163 -0.005914
O -5.974335 1.282312 0.000137
N -4.273410 -0.385690 0.002164
N -6.545724 -0.973968 0.013426
C 5.559939 -0.157757 0.002866
C 4.147320 0.473334 0.004441
C 6.686187 0.900667 0.022566
C 3.055310 -0.594420 -0.009859
C 8.096745 0.273581 0.020679
C 0.605881 -0.693118 -0.009907
C -0.620992 0.143216 -0.007881
C -1.854296 -0.429648 -0.005462
C -3.099684 0.408075 -0.003585
C -5.628835 0.078357 0.004993
H 5.672312 -0.824689 0.883106
H 5.680990 -0.800840 -0.893768
H 4.021170 1.111376 0.900037
H 4.027329 1.129642 -0.878707
H 6.575055 1.567712 -0.856295
H 6.566563 1.543488 0.918164
H 3.094438 -1.251040 0.879486
H 3.101319 -1.234273 -0.911046
H 8.246034 -0.372119 0.906514
H 8.253141 -0.350418 -0.879383
H 8.882907 1.050306 0.033264
H -0.511183 1.232877 -0.008364
H -1.925292 -1.527031 -0.004961
H -4.123734 -1.397715 0.004613
H -6.299499 -1.961904 0.018285
H -7.529900 -0.715026 0.015407


