%chk=000229277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229277

0 1
Cl 1.070361 3.729657 -0.716471
N 2.496503 -1.805436 0.184080
N -0.562127 -0.952240 -0.039541
N 4.183195 -0.266286 -0.004612
N 0.328036 1.252273 -0.304645
N 2.736114 1.738669 -0.341432
C 1.872451 -0.562789 0.001036
C -1.924698 -0.452801 -0.030375
C 0.529289 -0.076822 -0.091135
C -2.513766 -0.037808 -1.245196
C -2.659720 -0.438192 1.177838
C 2.961183 0.397135 -0.125386
C 3.880004 -1.575216 0.172791
C -3.861828 0.358041 -1.235770
C -4.003310 -0.046003 1.149212
C 1.834217 -3.105698 0.297784
C -1.739138 0.002986 -2.518080
C -2.024434 -0.829249 2.473429
C -4.598004 0.349531 -0.052163
C 1.435823 2.074317 -0.429383
H -0.430122 -1.798004 0.516535
H 4.614704 -2.362574 0.296101
H -4.331446 0.682890 -2.162840
H -4.585688 -0.035935 2.068235
H 2.568132 -3.929439 0.220244
H 1.321078 -3.207794 1.272031
H 1.095397 -3.248310 -0.515705
H -1.082114 0.892631 -2.526831
H -1.086761 -0.872485 -2.638551
H -2.379186 0.063149 -3.406367
H -2.667870 -0.596553 3.335161
H -1.816234 -1.905236 2.520125
H -1.083617 -0.283236 2.641143
H -5.642820 0.659628 -0.061061


%chk=000229277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229277

0 1
Cl 1.178128 3.764629 -1.079571
N 2.495100 -1.801055 0.194965
N -0.564531 -0.823765 0.095546
N 4.214652 -0.317265 -0.176740
N 0.403053 1.277122 -0.441077
N 2.809559 1.678208 -0.596172
C 1.895624 -0.553354 -0.056872
C -1.937703 -0.386147 0.025113
C 0.561491 -0.044256 -0.132833
C -2.495486 0.081445 -1.199234
C -2.728247 -0.515765 1.206138
C 2.985744 0.352048 -0.289661
C 3.877208 -1.584380 0.109112
C -3.864601 0.448248 -1.204704
C -4.093944 -0.154286 1.150383
C 1.848180 -3.088021 0.476532
C -1.679637 0.179171 -2.470057
C -2.114020 -1.014795 2.503194
C -4.660986 0.334816 -0.046437
C 1.516792 2.025123 -0.653500
H -0.409113 -1.724423 0.550180
H 4.588234 -2.394649 0.263754
H -4.306759 0.815995 -2.137849
H -4.708270 -0.243194 2.053823
H 2.622759 -3.869870 0.530767
H 1.319010 -3.071092 1.447617
H 1.143660 -3.363087 -0.328114
H -1.040782 1.081046 -2.445648
H -1.006094 -0.689255 -2.590367
H -2.334279 0.237457 -3.355984
H -2.825093 -0.904499 3.338616
H -1.840247 -2.089680 2.456347
H -1.197905 -0.450856 2.759426
H -5.717898 0.621188 -0.076492


