%chk=000198276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198276

0 1
O 0.153531 -2.611394 0.000086
O 3.569782 -1.652389 -0.000208
O -3.280939 -1.960961 0.000285
O -2.129748 -3.799816 -0.000087
N -2.238269 -2.587429 0.000065
C 0.760114 -0.402194 0.000043
C -0.686731 -0.468470 0.000046
C 1.218237 -1.706299 0.000065
C 1.550594 0.832049 0.000015
C -1.603656 0.673873 0.000028
C -0.998902 -1.815537 0.000070
C 1.923754 1.422455 1.217039
C 1.924074 1.422193 -1.217040
C 2.576195 -2.336399 0.000094
C -2.036662 1.220839 -1.217441
C -2.037245 1.220416 1.217481
C 2.670401 2.603676 1.211581
C 2.670719 2.603414 -1.211640
C -2.905688 2.315133 -1.211846
C -2.906268 2.314710 1.211851
C 2.575834 -3.829101 0.000529
C 3.043484 3.194662 -0.000044
C -3.340410 2.862011 -0.000007
H 1.637230 0.960217 2.159677
H 1.637808 0.959743 -2.159653
H -1.700008 0.793644 -2.160494
H -1.701053 0.792883 2.160545
H 2.964494 3.062767 2.154361
H 2.965063 3.062302 -2.154441
H -3.246553 2.740787 -2.154831
H -3.247586 2.740037 2.154819
H 2.055008 -4.240051 -0.879451
H 3.599266 -4.234376 0.001190
H 2.053992 -4.239621 0.880099
H 3.626973 4.113916 -0.000067
H -4.019435 3.713610 -0.000020


%chk=000198276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198276

0 1
O 0.128977 -2.659704 0.000384
O 3.597009 -1.617402 -0.000152
O -3.347319 -1.841844 0.000852
O -2.256833 -3.862755 0.000625
N -2.277161 -2.571081 0.000441
C 0.749274 -0.438079 0.000108
C -0.703070 -0.505202 0.000275
C 1.221877 -1.760503 0.000220
C 1.556048 0.812306 -0.000114
C -1.629144 0.658429 0.000291
C -1.013387 -1.868526 0.000391
C 1.932013 1.421492 1.223170
C 1.933904 1.419861 -1.223626
C 2.576888 -2.364486 0.000227
C -2.061471 1.227172 -1.223544
C -2.063680 1.225423 1.224156
C 2.681491 2.617799 1.221851
C 2.683380 2.616168 -1.222746
C -2.924571 2.344268 -1.222067
C -2.926752 2.342535 1.222720
C 2.658728 -3.882081 0.000037
C 3.059412 3.218618 -0.000557
C -3.360330 2.904559 0.000335
H 1.648504 0.953825 2.172741
H 1.651896 0.950908 -2.173009
H -1.731598 0.790571 -2.172818
H -1.735554 0.787443 2.173399
H 2.972249 3.077126 2.172826
H 2.975613 3.074224 -2.173883
H -3.257814 2.773729 -2.173017
H -3.261699 2.770646 2.173681
H 2.146664 -4.301774 -0.885066
H 3.715925 -4.185653 0.000199
H 2.146244 -4.302074 0.884743
H 3.643601 4.145359 -0.000725
H -4.031916 3.770003 0.000350


