%chk=000229910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229910

0 1
O 2.317861 -0.031906 -0.001242
O 1.300797 -2.053011 0.011086
O -2.419173 1.527353 -0.015182
O -5.187141 1.338640 -0.014225
N -3.649463 -0.437343 -0.001420
N -6.005171 -0.792033 0.001140
C 4.608128 0.481546 -0.004369
C 6.059587 -0.013958 -0.004709
C 3.635327 -0.690334 0.003863
C 7.044801 1.151563 -0.011392
C 1.218596 -0.845268 0.003261
C -0.002756 0.005897 -0.002958
C -1.217180 -0.548014 -0.000202
C -2.439044 0.322677 -0.006577
C -4.965598 0.149936 -0.005856
H 4.415903 1.124495 -0.887639
H 4.419491 1.134029 0.872604
H 6.242870 -0.652080 0.882833
H 6.239791 -0.659577 -0.887476
H 3.696147 -1.327126 -0.894558
H 3.695600 -1.313971 0.911483
H 6.919276 1.784295 -0.898029
H 6.919773 1.794106 0.868232
H 8.081071 0.793575 -0.009652
H 0.165442 1.093011 -0.009810
H -1.352457 -1.634362 0.006619
H -3.576411 -1.457208 0.005996
H -5.882336 -1.785149 0.007950
H -6.956330 -0.451281 -0.001470


%chk=000229910-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229910

0 1
O 2.284931 0.155641 0.009694
O 1.212611 -1.922576 0.011600
O -2.552377 1.656971 0.006948
O -5.439114 1.248735 -0.000430
N -3.723072 -0.403679 -0.003106
N -5.990014 -1.012601 -0.015091
C 4.688787 0.535197 -0.004402
C 6.107764 -0.082899 -0.002848
C 3.607272 -0.543248 0.010939
C 7.216056 0.991105 -0.023843
C 1.158917 -0.665560 0.010812
C -0.075737 0.159079 0.008651
C -1.303605 -0.425343 0.005474
C -2.556731 0.400773 0.003396
C -5.082698 0.047990 -0.005961
H 4.557742 1.171650 -0.900353
H 4.564270 1.191171 0.878303
H 6.231202 -0.723842 0.893672
H 6.222123 -0.749060 -0.882072
H 3.652657 -1.200054 -0.878020
H 3.659962 -1.182095 0.912517
H 7.136733 1.626385 -0.925710
H 7.145371 1.652692 0.859668
H 8.220590 0.530819 -0.021895
H 0.023715 1.249738 0.009599
H -1.364380 -1.523338 0.004456
H -3.564213 -1.414300 -0.006177
H -5.734874 -1.998253 -0.020412
H -6.976488 -0.762595 -0.017106


