%chk=000209542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209542

0 1
O -5.469608 0.657632 1.611843
O -6.258740 1.612294 -0.412918
O 5.094409 1.715319 -0.881824
N -0.794875 -1.472604 0.385438
N 1.854999 -0.856276 1.419222
N 3.411759 0.466099 0.172838
N 3.801159 -1.928048 0.521326
C -0.159636 -0.140657 0.111402
C 0.251279 -2.545064 0.489749
C 0.818825 0.204199 1.251673
C 1.228659 -2.194190 1.629918
C -1.786804 -1.823782 -0.685712
C -2.962390 -0.875040 -0.654716
C 3.027763 -0.779982 0.656320
C -3.592956 -0.607945 0.590218
C -3.426284 -0.307498 -1.842440
C -4.678833 0.233562 0.550870
C -5.153016 0.808186 -0.666752
C -4.547004 0.555622 -1.875613
C 4.646490 0.533609 -0.403548
C -6.489721 1.535392 1.031786
C 5.018569 -1.795012 -0.066250
C 5.504783 -0.579582 -0.550056
C 4.221232 2.900992 -0.727079
C 5.053560 4.005253 -1.341066
H -0.967851 0.623979 0.078010
H 0.366652 -0.099061 -0.866293
H 0.816321 -2.702710 -0.454574
H -0.257704 -3.503612 0.729916
H 1.296382 1.192455 1.067150
H 0.273159 0.279193 2.221028
H 0.688604 -2.148156 2.603911
H 2.011234 -2.981969 1.724359
H -2.165403 -2.853668 -0.475536
H -1.332884 -1.859647 -1.701275
H -3.213143 -1.042832 1.513909
H -2.923560 -0.525407 -2.783839
H -4.902120 0.989858 -2.805087
H -6.346536 2.540120 1.450064
H -7.468914 1.065777 1.192376
H 5.608714 -2.717567 -0.147048
H 6.476544 -0.475677 -1.014672
H 3.280942 2.700197 -1.267007
H 4.024402 3.039031 0.349616
H 4.530142 4.967645 -1.296816
H 6.016049 4.118813 -0.822134
H 5.288851 3.794558 -2.393787


%chk=000209542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209542

0 1
O -5.248976 0.979790 1.860388
O -6.581428 1.514696 -0.068891
O 5.481851 1.803619 -0.482259
N -0.883597 -1.498912 0.039453
N 1.822156 -0.902728 0.773232
N 3.633408 0.470034 0.139312
N 3.976152 -1.869560 0.775994
C -0.235304 -0.246691 -0.427849
C 0.113564 -2.588624 0.190947
C 0.861542 0.193929 0.561184
C 1.212947 -2.178555 1.190941
C -2.036815 -1.896447 -0.802209
C -3.229286 -0.953826 -0.667349
C 3.177997 -0.766734 0.557165
C -3.580259 -0.448364 0.619968
C -4.014421 -0.626114 -1.798930
C -4.713002 0.359553 0.701188
C -5.496716 0.674500 -0.430196
C -5.172281 0.196562 -1.700537
C 4.963784 0.592359 -0.059779
C -6.466198 1.700814 1.402939
C 5.312110 -1.689231 0.562221
C 5.882672 -0.473982 0.141681
C 4.521814 2.923246 -0.698911
C 5.355427 4.119288 -1.149025
H -1.003658 0.543598 -0.499928
H 0.218229 -0.380409 -1.443161
H 0.593884 -2.849573 -0.786308
H -0.401772 -3.491284 0.569399
H 1.410151 1.068155 0.180381
H 0.388406 0.455138 1.529677
H 0.758076 -2.051231 2.194299
H 2.008575 -2.936675 1.246247
H -2.337384 -2.912585 -0.474326
H -1.759529 -1.981995 -1.883746
H -2.961206 -0.686324 1.488721
H -3.725851 -1.015772 -2.781947
H -5.775996 0.448239 -2.576023
H -6.349970 2.776479 1.619995
H -7.351819 1.257500 1.891539
H 5.941966 -2.568191 0.739308
H 6.952216 -0.344390 -0.024245
H 3.781831 2.613101 -1.459410
H 3.981438 3.114789 0.246172
H 4.697429 4.989539 -1.327037
H 6.096227 4.394014 -0.378797
H 5.895114 3.893055 -2.084589


