%chk=000217454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217454

0 1
Cl 5.056125 4.290252 0.780248
F -3.727269 3.163236 0.260960
F -5.005467 1.562123 -0.243134
F -4.375742 1.828174 1.760283
N 1.745602 -1.220180 -1.001685
N 4.233923 0.375362 0.291253
N -1.973225 -2.637364 0.484344
C 3.600560 -2.031728 0.522300
C 2.998163 -2.004746 -0.894744
C 3.662131 -0.658893 1.209555
C 0.553964 -1.690295 -0.440672
C -0.536783 -0.754043 -0.218502
C -1.775093 -1.284015 0.237786
C -0.435091 0.651890 -0.432096
C 0.331795 -3.039874 -0.172563
C 4.462742 1.673516 0.998900
C -2.886404 -0.403807 0.467563
C -2.743716 0.945302 0.247453
C -1.504134 1.484664 -0.207031
C -0.945027 -3.463658 0.277341
C 4.819706 2.723025 -0.054340
C -3.920567 1.854746 0.495062
H 3.005122 -2.713192 1.165859
H 4.612227 -2.479575 0.468843
H 2.818857 -3.045576 -1.248478
H 3.721673 -1.546702 -1.610167
H 2.634843 -0.329943 1.490313
H 4.227187 -0.755604 2.163642
H 1.914573 -0.207728 -0.942877
H 5.122075 0.036258 -0.097680
H 0.510772 1.069351 -0.783954
H 1.109438 -3.781570 -0.319549
H 5.254350 1.622162 1.779449
H 3.526388 1.972257 1.525285
H -3.823891 -0.851236 0.815420
H -1.405999 2.557153 -0.377366
H -1.125087 -4.528932 0.477815
H 5.754016 2.485146 -0.594612
H 4.010963 2.850544 -0.799725


%chk=000217454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217454

0 1
Cl 4.722583 4.372802 0.934088
F -4.257260 2.658274 -0.781830
F -5.095156 1.311272 0.841501
F -3.618619 2.953181 1.367226
N 1.809611 -1.182382 -0.805548
N 4.297875 0.293846 0.375001
N -2.045098 -2.611470 0.428635
C 3.773953 -2.161084 0.449518
C 3.028818 -1.992851 -0.905133
C 3.870859 -0.838719 1.241161
C 0.572449 -1.646844 -0.401691
C -0.538299 -0.717880 -0.221453
C -1.812522 -1.259084 0.202127
C -0.429657 0.692875 -0.439491
C 0.309269 -3.016479 -0.160246
C 4.415336 1.592125 1.085373
C -2.913896 -0.368848 0.404945
C -2.767433 1.002075 0.193400
C -1.515678 1.544491 -0.237762
C -0.989978 -3.432298 0.235782
C 4.525319 2.717084 0.050711
C -3.914935 1.944955 0.404011
H 3.257355 -2.903303 1.086709
H 4.784586 -2.567013 0.241036
H 2.789983 -2.981340 -1.336267
H 3.693730 -1.483779 -1.624048
H 2.874103 -0.584388 1.648517
H 4.546328 -0.986395 2.116614
H 1.994425 -0.177283 -0.792380
H 5.174237 0.066805 -0.119865
H 0.510967 1.136916 -0.785391
H 1.091682 -3.771940 -0.267447
H 5.280319 1.639338 1.785547
H 3.501365 1.740547 1.688794
H -3.861689 -0.806932 0.728449
H -1.417211 2.620593 -0.410040
H -1.176510 -4.498577 0.414260
H 5.415360 2.618505 -0.590948
H 3.617129 2.799707 -0.563369


