%chk=000267730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267730

0 1
Cl 5.674908 -1.292642 -0.393386
N 0.403744 1.378663 0.087576
N 0.324993 2.743762 0.077226
C -3.937691 0.903145 -0.735149
C -3.257418 1.740388 0.366957
C -3.041181 -0.123377 -1.446168
C -0.879175 0.798939 0.185449
C -1.788058 1.869259 0.224972
C -2.331095 -1.064849 -0.512523
C -1.224906 -0.616171 0.247285
C -0.995285 3.059931 0.158283
C -0.543432 -1.504834 1.091365
C -2.731252 -2.403629 -0.407367
C 1.682206 0.728697 -0.034943
C -0.949885 -2.838114 1.178792
C -2.044656 -3.284797 0.432545
C 1.792511 -0.461127 -0.777498
C 2.809928 1.306543 0.579304
C 3.033658 -1.089695 -0.884175
C 4.050261 0.678794 0.464184
C 4.143419 -0.512711 -0.260681
H -4.349374 1.587253 -1.504590
H -4.808613 0.380597 -0.292088
H -3.470629 1.273994 1.356438
H -3.729537 2.743744 0.403758
H -2.287083 0.417694 -2.061164
H -3.657698 -0.689567 -2.174096
H -1.341142 4.080233 0.165718
H 0.299989 -1.151539 1.684663
H -3.584845 -2.761165 -0.980920
H -0.417664 -3.526176 1.833036
H -2.365684 -4.322941 0.506690
H 0.918374 -0.892540 -1.269970
H 2.713274 2.245946 1.131000
H 3.135428 -2.015695 -1.451929
H 4.934311 1.113487 0.933201


%chk=000267730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267730

0 1
Cl 5.900502 -1.158632 -0.522635
N 0.414609 1.329877 0.145581
N 0.369629 2.731804 0.212221
C -3.945293 0.984599 -0.850363
C -3.269008 1.691902 0.364048
C -3.074824 -0.140782 -1.487904
C -0.871640 0.769414 0.166549
C -1.775097 1.852528 0.232364
C -2.396378 -1.086748 -0.504899
C -1.256914 -0.653038 0.248652
C -0.961071 3.023273 0.264356
C -0.599260 -1.564135 1.118891
C -2.839503 -2.423632 -0.355515
C 1.699218 0.715427 -0.013541
C -1.053290 -2.892574 1.247501
C -2.181161 -3.324751 0.511133
C 1.853200 -0.485175 -0.749039
C 2.833067 1.359875 0.540307
C 3.132873 -1.060630 -0.899506
C 4.114143 0.792720 0.384592
C 4.245791 -0.415706 -0.327587
H -4.168834 1.724800 -1.643297
H -4.914810 0.567955 -0.514769
H -3.473819 1.086817 1.270052
H -3.745708 2.675173 0.530378
H -2.291443 0.350075 -2.098255
H -3.706744 -0.721493 -2.185786
H -1.272309 4.065439 0.324486
H 0.260963 -1.224557 1.705505
H -3.706009 -2.762889 -0.935956
H -0.537568 -3.582384 1.924222
H -2.541793 -4.354618 0.609864
H 0.989408 -0.969747 -1.210468
H 2.698836 2.303599 1.073930
H 3.258006 -1.987893 -1.465336
H 4.992933 1.283605 0.812020


