%chk=000230453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230453

0 1
Cl -6.019735 -0.583760 -0.352525
O 0.405289 1.500176 -2.082605
O 0.068259 -1.394435 2.134971
N 0.471082 3.000955 -0.392845
N 0.306307 -2.980873 0.540469
C -0.152422 0.657513 0.135298
C 0.708895 -0.613837 -0.082881
C -1.626463 0.347915 -0.011815
C 2.185381 -0.296541 0.024999
C 0.265497 1.720001 -0.888891
C 0.331727 -1.660821 0.971894
C -2.384839 0.096191 1.143730
C -2.236750 0.287300 -1.273996
C 2.814126 -0.189096 1.273952
C 2.926879 -0.089833 -1.148141
C -3.747222 -0.192914 1.045017
C -3.599103 0.000392 -1.386189
C 4.178642 0.102412 1.345932
C 4.290744 0.202525 -1.069935
C -4.334056 -0.231669 -0.221906
C 4.919927 0.294984 0.175815
H 0.045171 1.018120 1.181767
H 0.483593 -0.997456 -1.114744
H -1.900817 0.098092 2.125627
H -1.645884 0.469637 -2.179033
H 2.239506 -0.336799 2.192378
H 2.433077 -0.130898 -2.121715
H -4.339077 -0.388909 1.938956
H -4.078056 -0.040997 -2.364258
H 4.664473 0.179043 2.317671
H 4.862749 0.362172 -1.982998
H 0.390151 3.242622 0.577513
H 0.754693 3.740068 -1.019094
H 0.558206 -3.267407 -0.387657
H 0.088260 -3.717219 1.195626
H 5.983391 0.519248 0.234312


%chk=000230453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230453

0 1
Cl -6.168120 -0.672484 -0.310698
O 0.363782 1.543784 -2.104588
O 0.160506 -1.470419 2.126853
N 0.509893 3.002965 -0.310676
N 0.193415 -2.974748 0.364316
C -0.150185 0.661036 0.140640
C 0.739189 -0.609760 -0.112098
C -1.646992 0.349298 0.010540
C 2.237505 -0.294944 0.013179
C 0.266836 1.760554 -0.857076
C 0.333181 -1.707960 0.891386
C -2.439216 0.202923 1.177136
C -2.257416 0.170829 -1.258822
C 2.845395 -0.103775 1.282082
C 3.028795 -0.161005 -1.155692
C -3.814781 -0.106587 1.089494
C -3.631770 -0.137859 -1.363521
C 4.220420 0.205839 1.375000
C 4.403796 0.149662 -1.061108
C -4.389350 -0.271288 -0.184383
C 5.005345 0.332888 0.205115
H 0.051612 0.987491 1.177284
H 0.534298 -0.942917 -1.146391
H -1.972719 0.302274 2.163051
H -1.659328 0.299894 -2.167637
H 2.243553 -0.223410 2.190432
H 2.558517 -0.274859 -2.139154
H -4.421492 -0.221308 1.992092
H -4.102882 -0.266864 -2.342398
H 4.680775 0.342660 2.360265
H 5.002047 0.251654 -1.973527
H 0.460761 3.171697 0.692141
H 0.777067 3.766561 -0.932418
H 0.322733 -3.164797 -0.627592
H -0.045981 -3.742474 0.992170
H 6.072413 0.571350 0.279301


