%chk=000257449.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257449

0 1
O 4.406069 -0.462178 0.880419
O -1.372192 2.267511 0.449351
O -3.796605 1.082124 0.898712
O -4.227890 -1.539507 0.108693
N 1.935772 0.112929 -0.439949
C 1.990725 -0.080653 1.047302
C 3.227081 0.709919 -0.920130
C 0.783685 0.998192 -0.821954
C 3.167388 -1.009900 1.379363
C 4.373059 -0.243364 -0.544204
C -0.522564 0.290769 -0.573686
C -1.583239 0.972747 0.057932
C -0.723927 -1.035433 -0.977245
C -2.821195 0.332410 0.274050
C -1.942128 -1.690226 -0.770445
C -2.985964 -1.000146 -0.145880
H 1.034982 -0.546049 1.372814
H 2.093792 0.875656 1.603999
H 3.423672 1.718166 -0.495955
H 3.175827 0.818052 -2.024085
H 0.863979 1.222398 -1.911827
H 0.793946 1.982416 -0.295684
H 3.357345 -1.072568 2.464848
H 3.026205 -2.018923 0.954032
H 4.277709 -1.217873 -1.054765
H 5.365145 0.199176 -0.739627
H 0.103517 -1.567816 -1.456778
H -2.071062 -2.718778 -1.091771
H -2.193719 2.642396 0.884675
H -4.628241 0.539878 0.996711
H -4.289874 -2.474023 -0.210617


%chk=000257449-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257449

0 1
O 4.567822 -0.587640 0.715514
O -1.616019 2.415183 0.247087
O -4.028471 1.157742 0.511050
O -4.333910 -1.526991 0.020504
N 1.972559 0.184606 -0.339760
C 2.151245 -0.154286 1.096379
C 3.226873 0.755080 -0.891258
C 0.799118 1.060604 -0.575016
C 3.315646 -1.142701 1.260134
C 4.379222 -0.245752 -0.704808
C -0.525437 0.327153 -0.405789
C -1.685764 1.038725 -0.014575
C -0.652087 -1.058506 -0.667416
C -2.926077 0.375561 0.113583
C -1.888189 -1.734403 -0.543615
C -3.028526 -1.003724 -0.150508
H 1.218550 -0.609975 1.476365
H 2.358589 0.762236 1.704283
H 3.497450 1.719259 -0.390996
H 3.087360 0.958168 -1.970604
H 0.872989 1.439044 -1.614939
H 0.803101 1.961748 0.083143
H 3.522501 -1.343922 2.324267
H 3.072404 -2.094520 0.739522
H 4.163737 -1.168577 -1.286135
H 5.339450 0.185511 -1.033401
H 0.252805 -1.597938 -0.964499
H -1.957532 -2.808926 -0.751353
H -2.516789 2.732746 0.521826
H -4.834978 0.584609 0.566943
H -4.366343 -2.492811 -0.177627


