%chk=000259136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259136

0 1
O -0.811547 -0.495163 -2.483556
O -0.020160 -0.175641 2.070562
O 0.203759 -3.009726 0.162688
O 2.440284 -3.010643 0.189648
O 4.618715 1.524833 0.590218
N -0.077866 -0.421774 -0.265496
N 3.751036 3.375306 -0.372573
C 1.273642 -0.956289 -0.511022
C 2.368111 -0.086591 0.129691
C -1.058229 -0.298033 -1.323493
C -0.634292 -0.131485 1.039933
C -2.313617 0.141463 -0.633158
C -2.063026 0.241750 0.764306
C 2.507503 1.257716 -0.585804
C 1.420445 -2.398043 -0.006573
C -3.555828 0.423940 -1.158978
C -3.053849 0.625584 1.641635
C 3.709817 2.014601 -0.054086
C -4.575791 0.818370 -0.259873
C -4.331155 0.916771 1.104655
H 1.422491 -1.001586 -1.635772
H 3.343493 -0.631906 0.110163
H 2.161452 0.071360 1.213286
H 2.635004 1.106449 -1.679686
H 1.576176 1.847860 -0.467485
H -3.752901 0.345727 -2.229204
H -2.866837 0.701905 2.714057
H -5.567950 1.044973 -0.654698
H -5.130993 1.220970 1.782532
H 0.295966 -3.951075 0.481219
H 4.526379 3.936679 -0.053801
H 3.036269 3.852301 -0.886335


%chk=000259136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259136

0 1
O -0.603612 -0.261978 -2.484363
O -0.154186 -0.602245 2.188838
O 0.239326 -3.159943 0.235845
O 2.514758 -2.955994 0.658395
O 4.799823 1.511340 -0.237652
N -0.050380 -0.523746 -0.186490
N 3.503019 3.429183 -0.349484
C 1.303134 -1.062075 -0.376550
C 2.419330 -0.110507 0.111916
C -0.916944 -0.188830 -1.270462
C -0.685884 -0.356027 1.078938
C -2.199776 0.249811 -0.636606
C -2.060755 0.152239 0.770050
C 2.379195 1.245116 -0.620817
C 1.448677 -2.459263 0.247848
C -3.392853 0.693723 -1.225837
C -3.110880 0.495323 1.634185
C 3.664528 2.052136 -0.376061
C -4.461683 1.043545 -0.359742
C -4.322734 0.945937 1.048173
H 1.400703 -1.199148 -1.475583
H 3.396103 -0.590419 -0.070265
H 2.333019 0.031967 1.203260
H 2.302896 1.076105 -1.714782
H 1.488691 1.833356 -0.327364
H -3.489765 0.761739 -2.313800
H -2.993613 0.413413 2.719234
H -5.409765 1.392458 -0.782583
H -5.165580 1.221201 1.691056
H 0.380307 -4.062403 0.630816
H 4.330852 4.013677 -0.232919
H 2.590550 3.870911 -0.444192


