%chk=000267579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267579

0 1
O 0.580639 2.287641 1.086289
O 0.580848 -2.287193 1.087254
N 0.574904 0.000225 1.092086
C -2.043299 -0.000132 -0.028258
C -1.396627 1.244688 0.245764
C -1.396539 -1.244775 0.246357
C -3.349742 -0.000310 -0.582220
C -0.027413 1.267344 0.823141
C -0.027312 -1.267057 0.823721
C 1.981678 0.000406 1.609402
C -2.037346 2.437258 -0.026950
C -2.037182 -2.437521 -0.025766
C 2.963467 0.000163 0.463443
C -3.987230 1.251147 -0.852955
C -3.987152 -1.251942 -0.852332
C -3.346360 2.436596 -0.581654
C -3.346204 -2.437216 -0.580449
C 3.417332 -1.214407 -0.069893
C 3.417499 1.214501 -0.070274
C 4.340225 -1.211633 -1.119007
C 4.340395 1.211269 -1.119386
C 4.805578 -0.000296 -1.641638
H 2.120514 0.899346 2.257277
H 2.120594 -0.898210 2.257710
H -1.537868 3.389942 0.183600
H -1.537635 -3.390068 0.185241
H -4.991901 1.245607 -1.279088
H -4.991827 -1.246678 -1.278459
H -3.828519 3.392776 -0.786764
H -3.828309 -3.393527 -0.785075
H 3.037697 -2.157196 0.329750
H 3.037990 2.157468 0.329060
H 4.695338 -2.154496 -1.530645
H 4.695640 2.153953 -1.531319
H 5.526626 -0.000474 -2.456362


%chk=000267579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267579

0 1
O 0.567225 2.336746 1.040920
O 0.567372 -2.336327 1.042026
N 0.554812 0.000204 1.022992
C -2.096581 -0.000126 -0.025259
C -1.439649 1.243837 0.238325
C -1.439569 -1.243924 0.238906
C -3.436889 -0.000295 -0.560792
C -0.056544 1.262944 0.785978
C -0.056460 -1.262684 0.786563
C 1.960595 0.000372 1.546807
C -2.095372 2.457007 -0.022227
C -2.095214 -2.457258 -0.021079
C 3.007622 0.000139 0.436535
C -4.078104 1.255761 -0.815981
C -4.078023 -1.256511 -0.815394
C -3.417873 2.461608 -0.550891
C -3.417714 -2.462192 -0.549742
C 3.505049 -1.223791 -0.080184
C 3.505077 1.223855 -0.080664
C 4.482419 -1.223504 -1.100573
C 4.482448 1.223146 -1.101052
C 4.974129 -0.000285 -1.613280
H 2.055297 0.904000 2.169430
H 2.055351 -0.902950 2.169865
H -1.565473 3.391332 0.189761
H -1.565255 -3.391449 0.191348
H -5.096404 1.259567 -1.222101
H -5.096322 -1.260572 -1.221513
H -3.916136 3.415818 -0.749300
H -3.915915 -3.416527 -0.747704
H 3.113345 -2.167977 0.315010
H 3.113392 2.168206 0.314156
H 4.861842 -2.173975 -1.492680
H 4.861894 2.173455 -1.493530
H 5.734126 -0.000448 -2.403074


