%chk=000269059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269059

0 1
O -0.577442 1.467250 1.684855
O 5.710610 0.618130 -1.914193
O 6.864507 0.119090 0.540150
O -2.532021 -1.366513 -1.780525
N 3.661024 -0.530678 0.187578
N -1.997994 0.072099 -0.059671
C 2.257074 -0.316504 0.049396
C 4.362298 -1.195283 -0.946441
C 4.466265 0.579821 0.784517
C 1.580245 0.556946 0.937174
C 1.499732 -1.056322 -0.881872
C 4.631368 -0.294025 -2.161575
C 5.743020 0.029956 1.438643
C 0.195603 0.654948 0.877390
C -0.576177 -0.092871 -0.060223
C 0.109630 -0.947694 -0.930127
C -2.887045 -0.570256 -0.929151
C -4.321280 -0.189909 -0.695844
C 0.086556 2.236871 2.715029
C -5.237976 -1.194821 -0.361442
C -4.744665 1.135837 -0.852013
C -6.582667 -0.865806 -0.167453
C -6.091585 1.457090 -0.661140
C -7.008640 0.458312 -0.316037
H 3.776243 -2.092713 -1.254075
H 5.333171 -1.587251 -0.555017
H 3.854108 1.104416 1.554558
H 4.737734 1.340681 0.009658
H 2.145099 1.130566 1.666885
H 1.986629 -1.740535 -1.574287
H 4.891995 -0.893218 -3.053740
H 3.781454 0.372336 -2.403392
H 5.989258 0.573709 2.366845
H 5.684533 -1.055394 1.656551
H -0.454412 -1.540582 -1.664507
H -2.360601 0.707456 0.658088
H 6.429307 0.159595 -1.401523
H 7.092908 1.060062 0.375310
H 0.773964 2.957710 2.263012
H 0.593859 1.570288 3.418787
H -0.760095 2.745709 3.194213
H -4.901712 -2.228285 -0.263340
H -4.031596 1.911230 -1.132048
H -7.298944 -1.643420 0.093973
H -6.426993 2.485557 -0.785066
H -8.057649 0.711718 -0.167111


%chk=000269059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269059

0 1
O -0.571438 1.625761 1.458688
O 5.327903 0.820777 -2.017656
O 6.846256 0.412725 0.284044
O -2.663205 -1.730918 -1.493221
N 3.717253 -0.527600 0.164038
N -1.969018 -0.004535 -0.066834
C 2.312248 -0.390575 0.056575
C 4.456971 -1.231715 -0.904701
C 4.432656 0.403571 1.058212
C 1.606515 0.597771 0.815565
C 1.537797 -1.244696 -0.784651
C 4.600594 -0.431226 -2.221702
C 5.894005 0.038836 1.364643
C 0.204821 0.681805 0.745530
C -0.563619 -0.190433 -0.078676
C 0.135191 -1.151135 -0.846316
C -2.933735 -0.724116 -0.759088
C -4.354287 -0.247227 -0.574053
C 0.121756 2.586486 2.313213
C -5.388753 -1.154576 -0.920584
C -4.703235 1.050100 -0.110667
C -6.742606 -0.785808 -0.784680
C -6.059579 1.420264 0.022012
C -7.083662 0.502417 -0.308288
H 3.970997 -2.202555 -1.111054
H 5.466781 -1.476153 -0.534000
H 3.909151 0.393718 2.037247
H 4.398532 1.449975 0.674969
H 2.147903 1.316933 1.431503
H 2.018969 -2.007888 -1.400280
H 5.117828 -1.075005 -2.968998
H 3.610941 -0.154856 -2.624015
H 6.192472 0.549557 2.300198
H 6.009756 -1.047150 1.515575
H -0.440521 -1.823475 -1.484973
H -2.274401 0.740479 0.565007
H 6.034964 0.654734 -1.325508
H 7.254241 1.288989 0.488736
H 0.807959 3.223805 1.722475
H 0.686166 2.073023 3.115681
H -0.670266 3.207460 2.757627
H -5.098229 -2.139171 -1.301256
H -3.931666 1.796819 0.114847
H -7.531224 -1.498239 -1.050958
H -6.317105 2.426276 0.371613
H -8.135375 0.792076 -0.205041


