%chk=000222263.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222263

0 1
Cl -1.078286 3.687788 0.096188
N -3.113392 -0.886058 0.004242
N 1.593098 -0.693969 0.004410
N -2.060717 1.263002 0.046185
N 1.195307 -2.020439 -0.022918
N 0.385868 1.514415 0.053038
C -4.540936 -0.379157 0.013908
C -5.432146 -1.636383 -0.010692
C -4.788701 0.422112 1.295855
C -4.788339 0.471415 -1.235930
C -1.979567 -0.118182 0.019127
C -0.685430 -0.729178 0.006899
C 0.463859 0.139792 0.024148
C -0.149918 -2.061417 -0.021382
C 2.995127 -0.349308 0.002472
C -0.891236 1.975390 0.061051
C 3.391915 0.985574 0.183662
C 3.951812 -1.366667 -0.181433
C 4.754499 1.294776 0.176674
C 5.306331 -1.033847 -0.182530
C 5.712416 0.293510 -0.004826
H -2.989761 -1.897854 -0.015372
H -5.278772 -2.276098 0.865233
H -6.491814 -1.349240 -0.005195
H -5.278598 -2.241452 -0.910868
H -4.181300 1.342237 1.317324
H -4.539122 -0.145981 2.197425
H -5.835377 0.732991 1.374045
H -4.538476 -0.061125 -2.158875
H -5.834984 0.785122 -1.302278
H -4.180902 1.391666 -1.221429
H -0.699881 -2.989200 -0.038800
H 2.658174 1.786153 0.325825
H 3.640247 -2.404262 -0.319406
H 5.066662 2.330185 0.315046
H 6.051299 -1.816582 -0.323922
H 6.771241 0.544671 -0.008200


%chk=000222263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222263

0 1
Cl -1.066528 3.738595 0.209239
N -3.122588 -0.868687 -0.012349
N 1.590776 -0.689576 -0.020592
N -2.040469 1.241531 0.088941
N 1.227074 -2.051361 -0.082551
N 0.392830 1.487569 0.088956
C -4.540097 -0.369593 0.016308
C -5.430352 -1.635132 -0.044991
C -4.807064 0.404616 1.333093
C -4.813516 0.531989 -1.215581
C -1.972195 -0.131057 0.020823
C -0.675180 -0.755211 -0.014875
C 0.457888 0.118037 0.021867
C -0.127803 -2.076265 -0.081798
C 2.984898 -0.340296 -0.011973
C -0.876657 1.927649 0.116667
C 3.385413 1.018139 0.046849
C 3.948691 -1.377738 -0.064015
C 4.762617 1.326226 0.052326
C 5.319188 -1.048140 -0.057272
C 5.735455 0.302569 0.000615
H -3.005894 -1.882580 -0.061865
H -5.249926 -2.296167 0.823932
H -6.493294 -1.342021 -0.028476
H -5.253613 -2.207446 -0.975465
H -4.153518 1.288758 1.398094
H -4.626515 -0.240595 2.211884
H -5.859529 0.740238 1.358341
H -4.633590 -0.021066 -2.155244
H -5.867230 0.864556 -1.204378
H -4.163405 1.420830 -1.194153
H -0.627833 -3.042904 -0.126675
H 2.631674 1.807550 0.086393
H 3.613195 -2.416001 -0.108651
H 5.072062 2.376112 0.097509
H 6.063387 -1.851061 -0.097609
H 6.801849 0.552333 0.005376


