%chk=000254480.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254480

0 1
O -3.236118 0.655996 -1.514588
O -1.486029 -0.533309 -2.218223
O 0.165343 2.291804 -0.055598
O 0.216579 -2.325874 0.420493
N -0.186179 -0.012577 0.239498
C -1.669895 -0.006888 0.209966
C -2.300481 -1.245771 0.892201
C -2.260274 1.212402 0.955502
C -3.656150 -0.777603 1.443908
C -3.650252 0.764607 1.433750
C -2.061633 -0.017787 -1.290096
C 0.614336 1.181365 0.042461
C 0.634765 -1.209926 0.274122
C 2.033396 0.699156 0.005465
C 2.045408 -0.715858 0.135928
C 3.203046 1.414758 -0.137880
C 3.227122 -1.425551 0.122021
C 4.418413 0.689866 -0.151373
C 4.430097 -0.694671 -0.025311
H -1.649568 -1.607428 1.713086
H -2.390426 -2.104552 0.203562
H -2.307140 2.107034 0.306440
H -1.617157 1.492004 1.810209
H -3.819479 -1.170107 2.461745
H -4.485686 -1.164787 0.826135
H -4.427903 1.144805 0.744289
H -3.880007 1.177484 2.428945
H -3.497637 0.644021 -2.476269
H 3.197137 2.500789 -0.240330
H 3.239562 -2.512253 0.217920
H 5.356725 1.235472 -0.265499
H 5.377584 -1.236218 -0.041081


%chk=000254480-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254480

0 1
O -3.374186 0.515053 -1.448992
O -1.322323 -0.206005 -2.241400
O 0.141046 2.256209 -0.349907
O 0.277689 -2.379682 0.560391
N -0.177646 -0.035720 0.252328
C -1.661290 0.006877 0.219444
C -2.338051 -1.240185 0.890710
C -2.235502 1.192728 1.071265
C -3.767867 -0.772047 1.246903
C -3.648666 0.753137 1.557007
C -2.053457 0.090096 -1.273983
C 0.605110 1.119841 -0.088389
C 0.655576 -1.200520 0.362135
C 2.030506 0.675320 -0.076058
C 2.060722 -0.710780 0.192618
C 3.207239 1.406841 -0.297567
C 3.269515 -1.420479 0.250867
C 4.436520 0.701197 -0.237411
C 4.467147 -0.691453 0.032568
H -1.765313 -1.467253 1.807327
H -2.304566 -2.142828 0.261311
H -2.244080 2.136965 0.509096
H -1.551515 1.326385 1.929756
H -4.163044 -1.349283 2.101536
H -4.449310 -0.931178 0.394452
H -4.435617 1.315345 1.028435
H -3.761621 0.956942 2.637025
H -3.576107 0.535427 -2.424062
H 3.169440 2.479289 -0.512245
H 3.278397 -2.495994 0.453081
H 5.377428 1.235977 -0.405553
H 5.431327 -1.209820 0.068709


