%chk=000216521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216521

0 1
Cl 4.818071 -0.495737 1.742551
N -1.932278 -0.595835 0.016228
N 0.157455 0.479350 -0.255348
C -1.325226 -2.939457 -0.010683
C -2.516919 -1.964468 0.092042
C -0.067424 -2.070712 -0.166965
C -0.535150 -0.624330 -0.128380
C -2.675513 0.607136 0.153892
C -4.015041 0.764357 0.133571
C 1.568114 0.530001 -0.347175
C -4.578671 2.141916 0.325473
C -5.034902 -0.310522 -0.059398
C 2.407388 -0.018043 0.645789
C 2.129174 1.254881 -1.423719
C 3.781122 0.177594 0.526484
C 3.508757 1.425769 -1.502364
C 4.357881 0.883152 -0.527481
H -1.445678 -3.623000 -0.869112
H -1.257737 -3.577719 0.887720
H -3.239451 -2.112105 -0.740477
H -3.067842 -2.087381 1.048133
H 0.460581 -2.277497 -1.117786
H 0.667144 -2.264075 0.637881
H -2.017876 1.488782 0.272936
H -5.108198 2.477086 -0.577390
H -3.811136 2.895921 0.544319
H -5.295717 2.162314 1.157384
H -5.184679 -0.886132 0.863875
H -4.752712 -1.007202 -0.861035
H -6.015303 0.100936 -0.337635
H 1.990919 -0.549283 1.497276
H 1.469669 1.685632 -2.176139
H 3.938337 1.988099 -2.332088
H 5.435041 1.015271 -0.590679


%chk=000216521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216521

0 1
Cl 4.791980 -0.466468 1.912774
N -1.941664 -0.689543 -0.040392
N 0.111866 0.459386 -0.323768
C -1.232431 -2.956841 0.182820
C -2.482523 -2.070271 -0.052978
C -0.065660 -2.113246 -0.385134
C -0.549729 -0.667807 -0.229391
C -2.670252 0.506250 0.154945
C -4.018091 0.740937 0.173971
C 1.517303 0.550464 -0.380394
C -4.491526 2.153953 0.484649
C -5.149979 -0.238464 -0.090506
C 2.352962 0.022449 0.650998
C 2.123235 1.278036 -1.445477
C 3.741603 0.215906 0.571286
C 3.521689 1.444139 -1.494355
C 4.360343 0.912262 -0.483659
H -1.327919 -3.941742 -0.302843
H -1.088425 -3.120051 1.265423
H -2.957012 -2.297204 -1.028957
H -3.240579 -2.191102 0.739069
H 0.097075 -2.315654 -1.461990
H 0.893252 -2.288037 0.125533
H -1.982216 1.345593 0.305906
H -5.085749 2.567763 -0.355018
H -3.649697 2.840219 0.679021
H -5.152009 2.165356 1.375537
H -5.741981 -0.419223 0.829986
H -4.825004 -1.211692 -0.484415
H -5.852100 0.198386 -0.828307
H 1.910273 -0.489759 1.510685
H 1.477108 1.705746 -2.217965
H 3.973215 1.999496 -2.323855
H 5.444843 1.045463 -0.511497


