%chk=000219762.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219762

0 1
Cl -6.034864 2.496186 0.203429
N 2.527419 -0.553831 0.004238
N -2.159569 -0.954785 0.060221
N 2.184518 -1.892387 -0.037091
N 1.229424 1.604357 0.098858
N -1.189399 1.251924 0.115295
C 0.252753 -0.681031 0.035453
C 1.367398 0.235203 0.050711
C -1.054870 -0.108211 0.071209
C 3.914339 -0.150561 -0.016130
C 0.842227 -1.990632 -0.018433
C -3.549442 -0.616633 0.089351
C 4.265488 1.168572 0.313223
C 4.898642 -1.094563 -0.365939
C -0.052646 2.031280 0.126485
C -4.039160 0.697266 0.129260
C -4.446990 -1.711820 0.074821
C 5.612801 1.537622 0.284471
C 6.237670 -0.703505 -0.383982
C 6.598887 0.609390 -0.061396
C -5.421978 0.882055 0.154083
C -5.821219 -1.481182 0.100580
C -6.329061 -0.177598 0.140736
H 0.332703 -2.941361 -0.041236
H -1.951161 -1.957950 0.027610
H 3.507287 1.909277 0.584193
H 4.621077 -2.120774 -0.616137
H -0.225487 3.121896 0.163147
H -3.367166 1.564728 0.141127
H -4.077965 -2.734293 0.043876
H 5.891300 2.561302 0.536031
H 7.005414 -1.428966 -0.653065
H 7.645931 0.906591 -0.079973
H -6.510416 -2.327023 0.089368
H -7.401985 0.003858 0.161005


%chk=000219762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219762

0 1
Cl -6.101639 2.567294 0.454364
N 2.522990 -0.530450 -0.050538
N -2.165909 -0.921644 0.012023
N 2.207050 -1.896971 -0.173494
N 1.248699 1.595266 0.182009
N -1.182133 1.252929 0.204753
C 0.260751 -0.678312 -0.015224
C 1.362457 0.235709 0.048028
C -1.051332 -0.101678 0.068985
C 3.905176 -0.134385 -0.043611
C 0.854724 -1.975338 -0.151623
C -3.552780 -0.618484 0.073092
C 4.259681 1.233947 0.060953
C 4.902569 -1.135704 -0.144626
C -0.041188 2.012470 0.252893
C -4.059488 0.700882 0.218186
C -4.453681 -1.716819 -0.018188
C 5.625608 1.588995 0.062386
C 6.261072 -0.759656 -0.141106
C 6.631850 0.601685 -0.038189
C -5.452966 0.871017 0.267519
C -5.843552 -1.499812 0.035539
C -6.369025 -0.194347 0.180337
H 0.392532 -2.958280 -0.235332
H -1.957353 -1.916855 -0.091663
H 3.477333 1.992210 0.139568
H 4.602603 -2.182671 -0.224332
H -0.197037 3.089542 0.362011
H -3.364777 1.538547 0.286604
H -4.066582 -2.737426 -0.130901
H 5.900362 2.646434 0.143043
H 7.031630 -1.534415 -0.219171
H 7.689177 0.887561 -0.036254
H -6.528484 -2.350935 -0.035551
H -7.446438 -0.015904 0.222907


