%chk=000190398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190398

0 1
Cl 4.921451 -3.406415 -0.007360
N 0.537079 -1.049150 0.002164
N 2.473015 0.341108 -0.001037
N 4.522409 1.556213 -0.004270
N 2.630395 -2.121639 -0.002326
N 4.665566 -0.792193 -0.005593
C -1.820811 -0.307241 0.001092
C -2.756197 0.911031 0.002922
C -0.354894 0.139649 0.004261
C -4.195600 0.468809 0.000789
C -4.868066 0.260459 -1.212980
C -4.870014 0.255109 1.212547
C 1.900766 -0.922093 -0.000408
C -6.202684 -0.153758 -1.211991
C -6.204627 -0.159094 1.207588
C -6.873819 -0.363973 -0.003197
C 3.860394 0.358354 -0.003513
C 3.793020 2.853379 -0.002056
C 4.784961 4.007629 0.025010
C 3.980981 -1.966378 -0.004863
H -2.037854 -0.942925 0.884048
H -2.035357 -0.938331 -0.885772
H -2.550257 1.550539 0.886026
H -2.548770 1.554250 -0.877140
H -0.126380 0.767487 0.898510
H -0.124105 0.772483 -0.885918
H 0.128149 -1.982547 0.002631
H -4.351841 0.420621 -2.157218
H -4.355309 0.411109 2.158309
H -6.721081 -0.313185 -2.156292
H -6.724540 -0.322678 2.150343
H -7.912970 -0.685824 -0.004742
H 3.138969 2.905543 -0.905408
H 3.111326 2.887630 0.881667
H 5.541499 1.559043 -0.006738
H 5.420169 3.990065 0.920366
H 5.445846 4.010120 -0.851652
H 4.255480 4.970091 0.028197


%chk=000190398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190398

0 1
Cl 4.941909 -3.454545 -0.008804
N 0.563114 -0.981808 0.004072
N 2.492997 0.363474 0.000493
N 4.522703 1.555456 -0.002097
N 2.624289 -2.084965 -0.001778
N 4.663606 -0.777331 -0.004936
C -1.810628 -0.284653 0.003269
C -2.788810 0.922329 0.007968
C -0.341604 0.177356 0.007632
C -4.246042 0.482670 0.002708
C -4.932257 0.256925 -1.218711
C -4.937381 0.244148 1.218795
C 1.923619 -0.883581 0.000993
C -6.269625 -0.199584 -1.227103
C -6.274775 -0.212359 1.216689
C -6.945673 -0.437954 -0.007838
C 3.863919 0.360841 -0.002181
C 3.851813 2.865609 -0.001510
C 4.892263 3.997270 0.018569
C 3.958654 -1.921963 -0.004495
H -2.011002 -0.916955 0.890895
H -2.008340 -0.908093 -0.891159
H -2.581329 1.541630 0.902450
H -2.577853 1.551296 -0.878921
H -0.135457 0.804383 0.897346
H -0.132254 0.811667 -0.876040
H 0.186305 -1.931548 0.004472
H -4.416692 0.446612 -2.169183
H -4.425891 0.423845 2.173399
H -6.784417 -0.364884 -2.180528
H -6.793612 -0.387647 2.166133
H -7.983500 -0.789822 -0.011842
H 3.203870 2.946114 -0.895188
H 3.183154 2.932748 0.877562
H 5.542921 1.498958 -0.005878
H 5.525165 3.944736 0.923691
H 5.548215 3.955759 -0.870706
H 4.384926 4.977164 0.017758


