%chk=000217386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217386

0 1
O -4.586849 -1.988823 0.329022
O -6.120608 -0.600126 -1.358603
O 3.613821 -3.311803 -0.102358
O 2.782175 3.354494 -1.353405
N -4.070806 1.937557 0.412389
N 0.958292 -2.650167 0.459986
N 4.513785 1.982678 -0.705073
C -4.451958 0.997618 -0.682541
C -5.637954 0.123424 -0.224449
C -2.953574 2.864354 0.003750
C -5.286580 -0.856424 0.908644
C -1.612471 2.176484 0.283526
C -3.071583 4.174974 0.794159
C -3.206633 -2.036248 0.395650
C -0.456976 -2.412749 0.393607
C -2.392107 -1.104130 1.048352
C -2.669955 -3.164156 -0.256228
C -1.012711 -1.302862 1.055630
C -1.291557 -3.344395 -0.259829
C 1.900088 -1.682350 0.045429
C 1.596489 -0.457988 -0.455601
C 3.311468 -2.186373 0.239715
C 3.744897 0.832895 -0.291509
C 2.496032 0.612972 -0.781589
C 4.246497 -1.288093 0.938121
C 4.439299 0.017817 0.701829
C 3.977097 3.186506 -1.206650
C 5.015064 4.222878 -1.538306
H -3.573909 0.357469 -0.922890
H -4.733997 1.501840 -1.634144
H -6.514809 0.751158 0.062737
H -3.008875 3.105078 -1.092357
H -4.892561 2.488301 0.688278
H -4.708106 -0.376087 1.717237
H -6.190138 -1.347557 1.318841
H -1.503272 1.933535 1.347191
H -1.518672 1.236838 -0.272567
H -0.769867 2.817232 -0.000463
H -3.077647 3.993622 1.876328
H -3.979816 4.730645 0.542021
H -2.218881 4.832382 0.585639
H -5.554832 -1.396468 -1.519528
H -2.825967 -0.225499 1.536226
H -3.336417 -3.873668 -0.742908
H -0.364592 -0.599372 1.581406
H -0.862650 -4.207195 -0.768742
H 1.245477 -3.624330 0.298345
H 0.545596 -0.230783 -0.687974
H 2.066307 1.352777 -1.483012
H 4.836272 -1.808057 1.704017
H 5.195071 0.550408 1.297870
H 5.524627 1.893139 -0.608350
H 5.711676 3.887577 -2.318053
H 5.602484 4.529413 -0.663352
H 4.520816 5.131638 -1.923862


%chk=000217386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217386

0 1
O -4.625904 -2.037525 0.162724
O -6.647674 -0.692265 -1.251227
O 3.261023 -3.474180 1.120008
O 3.343612 3.457753 -1.395160
N -4.365662 1.851531 0.359742
N 1.007851 -2.446915 0.550107
N 4.966868 1.949438 -0.596497
C -4.914729 0.990075 -0.718380
C -5.971606 0.013579 -0.155100
C -3.535851 3.006649 -0.106800
C -5.431800 -1.007304 0.863922
C -2.169628 2.534124 -0.646765
C -3.355094 3.988742 1.067571
C -3.221343 -2.044843 0.298247
C -0.396630 -2.264964 0.449907
C -2.452797 -0.938135 0.730608
C -2.586820 -3.263998 -0.044354
C -1.050057 -1.058962 0.815482
C -1.187173 -3.368502 0.023398
C 2.053605 -1.572388 0.338986
C 1.889107 -0.288241 -0.226403
C 3.341254 -2.240111 0.720478
C 4.207921 0.777772 -0.270819
C 2.814573 0.742590 -0.502897
C 4.620258 -1.570947 0.672744
C 4.992070 -0.290097 0.269299
C 4.548173 3.178895 -1.111667
C 5.671316 4.194230 -1.316765
H -4.092740 0.414055 -1.184368
H -5.407422 1.573475 -1.530749
H -6.774703 0.596539 0.340113
H -4.062715 3.543143 -0.936228
H -5.136265 2.209878 0.947222
H -4.850961 -0.518850 1.665385
H -6.276580 -1.570079 1.296742
H -1.584448 2.053409 0.158032
H -2.278629 1.810373 -1.473794
H -1.592927 3.395843 -1.028692
H -2.845283 3.487236 1.910491
H -4.329265 4.371704 1.429133
H -2.746021 4.856342 0.758548
H -6.064160 -1.455657 -1.506275
H -2.929098 0.021017 0.975989
H -3.202151 -4.110445 -0.363504
H -0.469367 -0.213851 1.197247
H -0.695726 -4.306519 -0.258285
H 1.381708 -3.373648 0.844118
H 0.862798 -0.046416 -0.528146
H 2.396787 1.647372 -0.955894
H 5.427616 -2.219976 1.036411
H 6.068646 -0.078711 0.373109
H 5.970297 1.870596 -0.417237
H 5.688794 4.498151 -2.377581
H 6.673106 3.823229 -1.037712
H 5.449844 5.097788 -0.722865


