%chk=000201956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201956

0 1
Cl 0.275473 -6.128770 2.229718
N -0.686267 2.374906 0.824516
N 2.133734 1.954638 0.282434
N -2.868852 -0.246042 0.512634
N -3.978946 1.745056 -0.311995
N -3.882573 -0.270062 -1.714682
N -2.824186 -2.194188 -0.938919
N -5.040512 1.662657 -2.430901
C 0.108274 1.360857 1.590517
C 0.206882 3.508726 0.413518
C 1.247674 0.822566 0.702782
C 1.339276 2.967910 -0.482119
C -1.847320 2.897528 1.616110
C 3.414024 1.608085 -0.250695
C -2.878186 1.787084 1.893083
C 4.035818 0.388099 0.097435
C 4.142694 2.536162 -1.030285
C -3.256824 1.069546 0.627004
C 5.337902 0.114051 -0.316090
C 5.442805 2.250235 -1.437306
C 6.056761 1.036578 -1.089523
C 7.453148 0.745946 -1.536670
C -3.184401 -0.875065 -0.675252
C -4.275288 1.034553 -1.474790
C -2.068621 -3.085557 -0.118412
C -1.635299 -4.279703 -0.742936
C -1.772351 -2.847555 1.235369
C -0.911168 -5.220533 -0.014681
C -1.044883 -3.792506 1.959799
C -0.623239 -4.964741 1.329140
H -0.567228 0.513026 1.848178
H 0.525669 1.763516 2.538179
H 0.643491 4.052053 1.280161
H -0.397240 4.237012 -0.169391
H 1.843224 0.084473 1.286141
H 0.820261 0.286804 -0.174736
H 0.911056 2.535216 -1.414092
H 2.002486 3.811729 -0.778514
H -1.551182 3.362501 2.581326
H -2.337176 3.690645 1.001709
H -3.787694 2.238603 2.348000
H -2.483907 1.061687 2.638492
H 3.506154 -0.344490 0.704557
H 3.695651 3.489936 -1.305651
H 5.797941 -0.831625 -0.032468
H 5.988797 2.979727 -2.033798
H 8.166294 1.452453 -1.089183
H 7.782811 -0.263236 -1.259836
H 7.549403 0.828004 -2.627905
H -3.097207 -2.544281 -1.868850
H -5.183342 1.223416 -3.327170
H -5.240215 2.647382 -2.341570
H -1.858409 -4.472510 -1.791103
H -2.104948 -1.929034 1.731143
H -0.572227 -6.143333 -0.487262
H -0.811312 -3.615733 3.010739


%chk=000201956-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201956

0 1
Cl 0.266479 -6.342289 2.299991
N -0.685684 2.431362 0.844454
N 2.105852 1.970833 0.210668
N -2.861699 -0.255582 0.518425
N -3.991530 1.706723 -0.354017
N -3.879867 -0.328444 -1.698453
N -2.807812 -2.203626 -0.882862
N -4.971812 1.591795 -2.480359
C 0.124794 1.475254 1.632417
C 0.174359 3.534713 0.357058
C 1.272019 0.896184 0.784158
C 1.305341 2.979812 -0.522597
C -1.888230 2.932256 1.547956
C 3.414101 1.657778 -0.248786
C -2.922487 1.817671 1.850147
C 3.919850 0.324518 -0.242238
C 4.296471 2.686662 -0.701202
C -3.282509 1.047025 0.602616
C 5.241878 0.046432 -0.654919
C 5.605965 2.389809 -1.119583
C 6.115765 1.063846 -1.104807
C 7.537771 0.761516 -1.546672
C -3.182961 -0.891154 -0.655726
C -4.261400 0.967683 -1.490125
C -2.081835 -3.124226 -0.088130
C -1.840953 -4.410090 -0.649257
C -1.595494 -2.832587 1.215614
C -1.129477 -5.389958 0.070189
C -0.883166 -3.814376 1.936243
C -0.657082 -5.078059 1.359718
H -0.516216 0.636648 1.954058
H 0.555400 1.963654 2.544599
H 0.622629 4.112206 1.206351
H -0.443382 4.228707 -0.243218
H 1.898509 0.265969 1.439075
H 0.837365 0.247162 -0.011935
H 0.854294 2.524649 -1.434697
H 1.951503 3.811255 -0.844462
H -1.634080 3.446322 2.511300
H -2.370892 3.676922 0.888296
H -3.831181 2.303309 2.250308
H -2.547750 1.110453 2.607931
H 3.281546 -0.510222 0.061123
H 3.968620 3.731447 -0.700437
H 5.592301 -0.993427 -0.637252
H 6.253650 3.210688 -1.454313
H 8.281585 1.224536 -0.869349
H 7.731666 -0.325371 -1.558780
H 7.739869 1.149792 -2.563014
H -3.116299 -2.532500 -1.802278
H -5.194189 1.085748 -3.333651
H -5.258963 2.557435 -2.342748
H -2.209792 -4.648803 -1.654442
H -1.788514 -1.845553 1.639101
H -0.946862 -6.375828 -0.366247
H -0.510764 -3.592274 2.940664


