%chk=000206938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206938

0 1
O -1.598739 2.136948 -0.308446
O -2.220192 -1.187470 -0.706358
O -1.081130 1.007819 1.591537
O -0.248535 -2.254118 -0.382180
N 1.139615 0.364191 -0.409970
N 3.926227 -0.342658 -0.103911
C 1.637310 -0.265172 0.859352
C 1.931178 -0.160694 -1.573455
C 3.108869 0.143786 1.057458
C 3.404566 0.251882 -1.379005
C -0.318517 0.203887 -0.623210
C 5.363557 0.014737 0.085567
C -1.021921 1.113353 0.391817
C -0.861537 -1.227767 -0.533477
C -2.345825 3.151384 0.441886
C -2.963352 -2.450847 -0.673928
C -3.692157 2.596991 0.854405
C -2.779546 -3.190711 -1.981121
H 1.025783 0.103624 1.713682
H 1.550077 -1.377637 0.842552
H 1.858052 -1.269431 -1.665826
H 1.543774 0.286770 -2.511671
H 3.496675 -0.341764 1.979011
H 3.177360 1.243269 1.207066
H 3.489956 1.360136 -1.408966
H 4.007701 -0.151903 -2.220321
H -0.568786 0.587592 -1.661189
H 5.734273 -0.474691 1.001008
H 5.571023 1.092139 0.160641
H 5.948168 -0.394925 -0.753830
H -1.731509 3.471065 1.302056
H -2.413805 3.953648 -0.315638
H -3.992163 -2.075949 -0.521416
H -2.620750 -3.033097 0.199871
H -3.582104 1.812562 1.619158
H -4.219410 2.144282 0.004211
H -4.337736 3.377582 1.273197
H -1.745928 -3.553088 -2.091899
H -2.993389 -2.547795 -2.844480
H -3.440332 -4.063831 -2.043477


%chk=000206938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206938

0 1
O -1.572416 2.077227 -0.427185
O -2.213052 -1.263742 -0.495403
O -1.020138 0.953291 1.542726
O -0.178022 -2.390252 -0.709139
N 1.219487 0.188277 -0.416183
N 4.046061 -0.219514 -0.061018
C 1.740024 -0.414273 0.839562
C 2.084197 -0.135332 -1.578044
C 3.166725 0.100069 1.090512
C 3.511487 0.373837 -1.308503
C -0.222661 0.107245 -0.661223
C 5.450750 0.156939 0.182294
C -0.974466 1.049340 0.295592
C -0.827867 -1.326340 -0.619198
C -2.343724 3.088121 0.365764
C -2.953017 -2.567878 -0.470027
C -3.778164 2.605549 0.595606
C -3.272077 -3.034632 -1.892410
H 1.084560 -0.120962 1.676552
H 1.762544 -1.524025 0.770863
H 2.117078 -1.231741 -1.768147
H 1.681385 0.367567 -2.477802
H 3.576714 -0.390629 1.993432
H 3.127145 1.203608 1.281709
H 3.488675 1.493472 -1.254922
H 4.168616 0.082779 -2.150060
H -0.417718 0.486918 -1.681799
H 5.822912 -0.360072 1.085172
H 5.596822 1.258096 0.329756
H 6.074973 -0.158428 -0.673496
H -1.816249 3.258516 1.320662
H -2.301913 3.992925 -0.261175
H -3.862030 -2.336626 0.107262
H -2.334546 -3.306121 0.069832
H -3.788849 1.699839 1.224488
H -4.275093 2.379330 -0.363386
H -4.358418 3.393304 1.111125
H -2.347295 -3.268860 -2.445987
H -3.835115 -2.262107 -2.444047
H -3.890525 -3.950616 -1.853052


