%chk=000222010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222010

0 1
O -2.571399 1.294072 -0.050083
O -2.598736 -1.004869 0.271955
O -5.459651 -1.126278 -1.414060
O -5.433667 1.014602 -1.714090
N -5.237706 0.013222 -1.053315
C -4.741856 0.211222 0.402978
C -1.842476 0.193762 0.525002
C -0.581810 0.060636 -0.318413
C -3.881856 1.493102 0.490190
C -3.911786 -1.017169 0.841644
C 0.690807 0.164372 0.524931
C 1.944230 0.026836 -0.350315
C 3.225378 0.129777 0.488014
C 4.478426 -0.008076 -0.387329
C -6.004381 0.345225 1.252478
C 5.761038 0.094923 0.449043
C 7.013462 -0.043183 -0.426736
C 8.297814 0.059853 0.407990
C 9.547417 -0.077511 -0.459000
H -1.718247 0.344521 1.611799
H -0.616847 -0.907826 -0.867319
H -0.596522 0.840930 -1.113010
H -3.800500 1.840904 1.534905
H -4.279668 2.308914 -0.153608
H -4.330633 -1.968870 0.445219
H -3.835262 -1.066632 1.941975
H 0.692931 -0.620957 1.306501
H 0.713285 1.134415 1.059827
H 1.943866 0.808341 -1.135218
H 1.923574 -0.940479 -0.889477
H 3.227309 -0.652014 1.271957
H 3.247798 1.097263 1.025823
H 4.477672 0.772939 -1.172172
H 4.457419 -0.975313 -0.925823
H -5.764878 0.490641 2.313980
H -6.641767 -0.549671 1.188512
H -6.620540 1.203182 0.943579
H 5.762735 -0.686307 1.233424
H 5.783112 1.062331 0.986824
H 7.013548 0.736998 -1.212035
H 6.993382 -1.010061 -0.965365
H 8.320733 1.028114 0.945283
H 8.300194 -0.721606 1.192881
H 9.595421 0.704983 -1.224833
H 10.458661 -0.001964 0.144655
H 9.575677 -1.043294 -0.976266


%chk=000222010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222010

0 1
O -3.002537 1.360834 -0.687848
O -2.199390 -0.515347 0.588824
O -4.752033 -2.283182 -0.508943
O -5.499264 -0.514332 -1.726169
N -4.968790 -1.029530 -0.677705
C -4.656983 -0.070089 0.527032
C -1.942100 0.876308 0.201897
C -0.624441 0.929201 -0.555764
C -4.307584 1.333470 -0.019106
C -3.460302 -0.635707 1.326110
C 0.592059 0.554081 0.318816
C 1.917217 0.582355 -0.474778
C 3.148271 0.220353 0.385708
C 4.472502 0.224328 -0.410969
C -5.945801 -0.044900 1.377548
C 5.706401 -0.131798 0.448553
C 7.028815 -0.140134 -0.351303
C 8.263782 -0.492268 0.509165
C 9.579552 -0.504414 -0.299063
H -1.941051 1.503595 1.129734
H -0.706935 0.240879 -1.417351
H -0.509972 1.952268 -0.960954
H -4.313956 2.036934 0.843224
H -5.039644 1.656980 -0.772587
H -3.591804 -1.708570 1.526183
H -3.404049 -0.074458 2.285545
H 0.433203 -0.454704 0.745206
H 0.665808 1.255325 1.176975
H 2.062844 1.590164 -0.917501
H 1.846064 -0.124464 -1.327470
H 2.996257 -0.781874 0.838066
H 3.227993 0.934527 1.232184
H 4.621974 1.224518 -0.869324
H 4.393846 -0.494105 -1.253642
H -5.803259 0.613306 2.252458
H -6.195869 -1.057007 1.740280
H -6.797214 0.338660 0.788974
H 5.553690 -1.128715 0.912926
H 5.790307 0.591273 1.287045
H 7.181859 0.855125 -0.819241
H 6.947327 -0.866195 -1.187296
H 8.346682 0.235976 1.341905
H 8.108356 -1.484802 0.979589
H 9.771477 0.483958 -0.758144
H 10.446643 -0.754278 0.339933
H 9.535753 -1.249544 -1.115822


