%chk=000269857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269857

0 1
Cl -6.900921 0.333331 -0.003762
N 5.865435 -0.525400 -0.278401
N -1.817792 0.936048 -0.019380
N -0.532872 0.443670 -0.049207
N -2.734276 -1.302602 -0.099064
N -4.381950 2.064499 0.042918
N -5.138409 -1.629920 -0.092935
C 4.521543 -0.093867 -0.112131
C 4.219525 1.285470 0.011936
C 3.449217 -1.014540 -0.199703
C 1.836193 0.800901 -0.056242
C 2.899310 1.718424 0.033700
C 2.132632 -0.570022 -0.175719
C 6.930151 0.363326 0.262252
C 6.152040 -1.959878 -0.003478
C 0.454907 1.301356 -0.023544
C -2.904238 0.067138 -0.045022
C -4.231889 0.630723 -0.013202
C -5.294999 -0.286160 -0.040134
C -3.842647 -2.080059 -0.120497
H 5.019509 2.019301 0.076026
H 3.643356 -2.080267 -0.300038
H 2.691772 2.784865 0.124637
H 1.313279 -1.293530 -0.247380
H 6.828667 1.372561 -0.175215
H 7.918133 -0.018539 -0.043760
H 6.914623 0.453944 1.359735
H 7.191856 -2.188833 -0.289197
H 5.501541 -2.594314 -0.632234
H 6.006945 -2.246026 1.050126
H 0.353082 2.397304 0.021892
H -2.023504 1.949551 0.020628
H -4.914868 2.393562 -0.764594
H -4.906782 2.330186 0.878543
H -3.694070 -3.173403 -0.163950


%chk=000269857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269857

0 1
Cl -7.042026 0.617901 -0.063678
N 5.918949 -0.494812 0.027050
N -1.858797 0.753835 -0.000783
N -0.577753 0.227573 -0.021099
N -2.905277 -1.400148 -0.167762
N -4.243246 2.099154 0.075791
N -5.343392 -1.514759 -0.202358
C 4.577637 -0.107682 0.029649
C 4.201166 1.273257 0.097854
C 3.524189 -1.082807 -0.035471
C 1.806084 0.679682 0.036048
C 2.847759 1.646587 0.100515
C 2.179593 -0.695405 -0.032456
C 6.977555 0.520551 0.093881
C 6.276596 -1.918914 -0.029335
C 0.410627 1.104562 0.042799
C -2.985822 -0.031090 -0.068515
C -4.254471 0.662218 -0.030431
C -5.382915 -0.172644 -0.103612
C -4.086388 -2.060530 -0.229093
H 4.965643 2.053214 0.149740
H 3.764811 -2.148140 -0.089616
H 2.590491 2.712677 0.154232
H 1.384995 -1.447259 -0.082647
H 6.929407 1.220886 -0.764452
H 7.961563 0.026896 0.071919
H 6.917141 1.118692 1.026140
H 7.372829 -2.021691 -0.012448
H 5.903292 -2.400883 -0.955382
H 5.868675 -2.479920 0.835690
H 0.223719 2.197538 0.106515
H -2.061435 1.769202 0.067124
H -4.651586 2.578099 -0.735849
H -4.648808 2.453521 0.950389
H -4.036304 -3.150562 -0.306745


