%chk=000189358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189358

0 1
Cl -2.905939 -4.325296 -1.094502
N -2.272857 0.368916 0.412421
N 1.361278 -2.711404 0.901211
N -0.384233 -1.089790 0.682524
N -2.521284 -1.864205 -0.259583
N -0.655373 -3.410802 -0.092356
C -1.577084 1.600460 0.928818
C -0.359011 1.911424 0.052089
C -1.232462 1.377427 2.407006
C -2.579674 2.763158 0.792498
C 0.854337 2.332897 0.610702
C -0.470082 1.815149 -1.345405
C -1.692845 -0.870066 0.291134
C 3.058726 -1.041032 0.133226
C 2.348130 -1.690723 1.330727
C 4.226278 -0.162228 0.599207
C 1.939390 2.651972 -0.213204
C 0.614570 2.131984 -2.165713
C 1.823096 2.553900 -1.601725
C 0.094995 -2.372228 0.479510
C 4.953203 0.472660 -0.583826
C -1.934695 -3.079729 -0.412848
H -2.106365 1.043648 2.978843
H -0.462396 0.597791 2.522543
H -0.860364 2.291146 2.880326
H -3.470383 2.619179 1.414219
H -2.907684 2.914293 -0.243027
H -2.114106 3.705078 1.112276
H -3.254908 0.452451 0.135138
H 0.971302 2.412136 1.690018
H -1.403065 1.483409 -1.800090
H 2.329332 -0.426954 -0.439054
H 3.421127 -1.812109 -0.572203
H 1.831444 -0.907883 1.937010
H 3.075728 -2.199477 2.002146
H 4.940554 -0.761581 1.197165
H 3.850023 0.632054 1.274654
H 2.878332 2.975661 0.232801
H 0.518043 2.049272 -3.247089
H 1.722513 -3.624319 0.617888
H 2.665569 2.805592 -2.242196
H 4.275007 1.089083 -1.187087
H 5.773703 1.115859 -0.247250
H 5.382528 -0.285174 -1.249342


%chk=000189358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189358

0 1
Cl -3.101667 -4.386031 -0.957203
N -2.260270 0.359993 0.435882
N 1.317494 -2.714074 0.754809
N -0.414884 -1.112671 0.655093
N -2.587161 -1.856474 -0.189105
N -0.755610 -3.435715 -0.040280
C -1.585522 1.585187 0.950290
C -0.360979 1.943354 0.072018
C -1.229901 1.388209 2.447458
C -2.631898 2.729594 0.815063
C 0.788744 2.568990 0.613996
C -0.411688 1.728188 -1.329301
C -1.717348 -0.889192 0.312787
C 3.185460 -1.165311 0.061474
C 2.331196 -1.750304 1.211686
C 4.269883 -0.197065 0.585216
C 1.860436 2.964227 -0.219716
C 0.656544 2.118046 -2.164540
C 1.800590 2.741153 -1.613445
C 0.025308 -2.394244 0.452610
C 5.125439 0.402471 -0.551223
C -2.017567 -3.066770 -0.316959
H -2.134394 1.076188 2.998701
H -0.459579 0.608795 2.561215
H -0.869108 2.328172 2.900105
H -3.525196 2.518516 1.433113
H -2.942227 2.860843 -0.237435
H -2.192118 3.680846 1.156773
H -3.249519 0.413859 0.182501
H 0.864355 2.746981 1.691464
H -1.287596 1.234529 -1.766100
H 2.518519 -0.631277 -0.642093
H 3.664930 -1.990226 -0.504832
H 1.801731 -0.931782 1.727761
H 2.983827 -2.258235 1.948163
H 4.925952 -0.728508 1.305457
H 3.779661 0.622797 1.148558
H 2.741340 3.445832 0.220794
H 0.597381 1.935396 -3.243571
H 1.581709 -3.680047 0.551898
H 2.629506 3.049738 -2.260552
H 4.489468 0.962322 -1.262084
H 5.891506 1.096466 -0.158624
H 5.647654 -0.391169 -1.118222


