%chk=000227607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227607

0 1
O -1.080800 0.375195 0.420784
O 1.078841 0.373043 0.426874
O 0.000004 -1.437754 -0.564348
O -5.569990 2.832747 0.735676
O 5.569729 2.824227 0.762697
O -6.810642 -1.895313 -0.871447
O 6.811311 -1.906254 -0.837874
O -7.328943 -0.033839 0.103277
O 7.327840 -0.045140 0.138471
N -6.523029 -0.849768 -0.319229
N 6.522686 -0.860055 -0.287420
C -4.676203 0.647894 0.497428
C 4.674255 0.640537 0.520247
C -5.087468 -0.544368 -0.133613
C 5.086725 -0.552470 -0.108594
C -2.396773 -0.043877 0.171538
C 2.395356 -0.047933 0.183754
C -3.318027 0.906670 0.650119
C 3.315749 0.901356 0.666454
C -4.146216 -1.471379 -0.611817
C 4.146361 -1.478201 -0.591016
C -2.780813 -1.228718 -0.456638
C 2.780599 -1.233498 -0.442324
C -0.000567 -0.384925 0.007055
C -5.668941 1.669166 1.029615
C 5.665940 1.660483 1.056911
H -2.961893 1.834051 1.111628
H 2.958828 1.829375 1.126077
H -4.491882 -2.389489 -1.108145
H 4.493000 -2.396941 -1.085498
H -2.045074 -1.953054 -0.827089
H 2.045555 -1.956849 -0.816051
H -6.444184 1.259755 1.698697
H 6.437764 1.250029 1.729301


%chk=000227607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227607

0 1
O -1.093731 0.341652 0.347969
O 1.092087 0.339909 0.353400
O -0.000072 -1.551833 -0.558456
O -5.194345 2.821029 1.513014
O 5.190783 2.811432 1.541363
O -6.937683 -2.079061 -0.575820
O 6.936615 -2.089399 -0.543668
O -7.461460 0.132645 -0.398742
O 7.463077 0.121317 -0.362344
N -6.617089 -0.845646 -0.377881
N 6.617027 -0.855617 -0.346407
C -4.761159 0.680390 0.481717
C 4.759348 0.672617 0.505574
C -5.182729 -0.535287 -0.133585
C 5.181993 -0.543161 -0.108807
C -2.445977 -0.057683 0.144438
C 2.444681 -0.061455 0.156276
C -3.369788 0.894779 0.611399
C 3.367704 0.889100 0.628647
C -4.252078 -1.497606 -0.577859
C 4.251997 -1.503588 -0.558515
C -2.868666 -1.271451 -0.449467
C 2.868337 -1.275350 -0.436672
C -0.000517 -0.430285 -0.020372
C -5.659595 1.732152 1.090428
C 5.656443 1.722374 1.119698
H -3.025319 1.817675 1.089129
H 3.022360 1.812093 1.105560
H -4.623472 -2.420138 -1.031322
H 4.624137 -2.426287 -1.011028
H -2.149578 -2.010545 -0.802881
H 2.149794 -2.012981 -0.794228
H -6.736692 1.492344 1.170068
H 6.732667 1.480567 1.204874


