%chk=000277718.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277718

0 1
O -4.631095 2.406098 -0.441403
O -6.007010 0.702486 0.478214
O 2.115450 -0.992696 -1.762839
O 2.384324 1.711813 1.994373
O -3.171273 -3.497219 0.709318
O -1.290117 -2.933743 -0.195477
N 2.636292 0.340584 0.102172
N -2.423786 -2.690008 0.185167
C 0.350771 -0.077185 -0.344366
C 0.416490 0.789061 0.874993
C 1.757087 -0.349216 -0.812179
C 1.898027 1.043434 1.122014
C -2.113738 -0.308240 -0.542084
C -0.724648 -0.580242 -0.954980
C 4.080699 0.319413 0.010376
C -2.932278 -1.313606 -0.004607
C -3.920789 1.233003 -0.360608
C -2.614767 1.007085 -0.730215
C -4.746665 0.197691 0.194687
C -4.282930 -1.076826 0.383666
C -5.978123 2.112489 0.083200
C 4.722285 -0.753090 -0.633603
C 4.829794 1.371220 0.566179
C 6.115748 -0.762128 -0.719009
C 6.222632 1.339525 0.473526
C 6.869580 0.278729 -0.167757
H -0.128809 1.747993 0.752721
H -0.042031 0.299730 1.762293
H -0.617475 -1.253575 -1.824108
H -1.991300 1.790260 -1.160114
H -4.894520 -1.882041 0.805403
H -6.124000 2.723611 0.984563
H -6.692847 2.252463 -0.739597
H 4.145421 -1.568133 -1.076950
H 4.338512 2.199878 1.080539
H 6.615779 -1.590866 -1.220388
H 6.806401 2.151455 0.906991
H 7.955110 0.262692 -0.237009


%chk=000277718-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277718

0 1
O -4.575244 2.406170 0.093422
O -6.161752 0.608072 0.250996
O 2.084469 -1.110020 -1.574177
O 2.558887 2.070939 1.888006
O -3.612898 -3.763287 -0.418860
O -1.423311 -3.182178 -0.173474
N 2.694591 0.468287 0.123713
N -2.676979 -2.879435 -0.290188
C 0.391295 0.062716 -0.213091
C 0.507714 1.140129 0.840937
C 1.766498 -0.297732 -0.671726
C 2.016168 1.311122 1.053864
C -2.101754 -0.405957 -0.358532
C -0.681703 -0.645527 -0.677607
C 4.129838 0.377298 0.002495
C -3.073808 -1.454039 -0.250269
C -3.927865 1.167479 -0.036054
C -2.570184 0.941985 -0.245816
C -4.861098 0.106767 0.052982
C -4.463805 -1.218908 -0.054143
C -6.023271 2.090190 0.289655
C 4.734187 -0.869800 -0.295354
C 4.928348 1.533716 0.186651
C 6.137637 -0.951028 -0.412419
C 6.331070 1.435195 0.073285
C 6.942194 0.196603 -0.227872
H 0.100970 2.121249 0.532818
H 0.021569 0.879879 1.797994
H -0.443930 -1.467044 -1.364009
H -1.882620 1.779056 -0.372237
H -5.154715 -2.060262 0.014390
H -6.335438 2.457309 1.280971
H -6.598625 2.528475 -0.541872
H 4.116657 -1.757138 -0.447959
H 4.461811 2.490578 0.429838
H 6.600584 -1.915720 -0.646007
H 6.945069 2.330265 0.219885
H 8.031646 0.126493 -0.317135


