%chk=000253592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253592

0 1
Cl 6.029845 0.934477 -0.000366
N 0.888247 1.882240 -0.000106
C 0.245679 -0.315323 0.000051
C 1.689523 -0.266877 -0.000036
C -0.216655 0.994950 0.000017
C 2.065618 1.121262 -0.000125
C -0.558175 -1.538487 0.000150
C -1.587976 1.516294 0.000072
C 2.690667 -1.255274 -0.000049
C 3.414714 1.529733 -0.000229
C 4.019723 -0.864678 -0.000153
C 4.350141 0.511833 -0.000240
C -0.939837 -2.128623 1.215546
C -0.940156 -2.128611 -1.215150
C -2.243399 1.760976 1.216426
C -2.243895 1.759886 -1.216233
C -1.700855 -3.300358 1.211233
C -1.701172 -3.300348 -1.210648
C -3.551120 2.253449 1.212012
C -3.551615 2.252362 -1.211728
C -2.082511 -3.887276 0.000340
C -4.204681 2.500574 0.000164
H 0.827481 2.882558 -0.000087
H 2.409055 -2.308171 0.000018
H 3.695602 2.577854 -0.000295
H 4.817929 -1.605634 -0.000172
H -0.640484 -1.670976 2.156479
H -0.641049 -1.670960 -2.156158
H -1.734744 1.558735 2.158275
H -1.735619 1.556809 -2.158107
H -1.997396 -3.757115 2.153801
H -1.997955 -3.757098 -2.153142
H -4.062943 2.441427 2.154736
H -4.063821 2.439493 -2.154411
H -2.675591 -4.799196 0.000414
H -5.224275 2.882993 0.000201


%chk=000253592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253592

0 1
Cl 6.155120 1.016117 0.000037
N 0.891811 1.860988 0.000041
C 0.249408 -0.333282 -0.000026
C 1.702440 -0.267793 -0.000014
C -0.217080 0.987610 0.000011
C 2.075090 1.122796 0.000024
C -0.570360 -1.577845 -0.000003
C -1.601956 1.533221 0.000097
C 2.722776 -1.254335 -0.000023
C 3.421468 1.549727 0.000030
C 4.071891 -0.850796 -0.000007
C 4.390061 0.533733 0.000017
C -0.954875 -2.194015 1.220514
C -0.955444 -2.193711 -1.220495
C -2.270495 1.805034 1.222844
C -2.271695 1.802412 -1.222571
C -1.710080 -3.388355 1.222070
C -1.710648 -3.388053 -1.221997
C -3.579703 2.335701 1.223312
C -3.580906 2.333069 -1.222890
C -2.091247 -3.989328 0.000050
C -4.237728 2.602087 0.000246
H 0.814415 2.876361 0.000046
H 2.467269 -2.318946 -0.000046
H 3.707773 2.605435 0.000050
H 4.878610 -1.589344 -0.000013
H -0.656310 -1.731579 2.168549
H -0.657301 -1.731056 -2.168556
H -1.762360 1.591417 2.170145
H -1.764464 1.586805 -2.169905
H -2.000361 -3.848149 2.173661
H -2.001364 -3.847614 -2.173567
H -4.085753 2.536711 2.174075
H -4.087883 2.532050 -2.173586
H -2.677502 -4.915331 0.000072
H -5.254315 3.011157 0.000306


