%chk=000206017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206017

0 1
Cl 5.015738 0.143728 -0.527975
O -1.164548 -1.167065 1.480243
N -3.104066 0.063795 -0.520990
N -5.040103 1.223502 -0.347285
C 0.600769 -0.035238 0.325840
C -0.886302 -0.054032 0.613298
C 1.257631 1.215516 0.309433
C 1.305306 -1.228710 0.066497
C -1.681962 -0.238383 -0.708966
C 2.640698 1.276451 0.047661
C 2.691512 -1.176066 -0.200639
C 3.319140 0.074877 -0.200346
C 0.491330 2.480614 0.543956
C 0.596032 -2.543947 0.081720
C 3.409648 2.556091 0.023579
C 3.510150 -2.392802 -0.480681
C -4.083205 -0.839227 -0.079194
C -3.728669 1.318121 -0.665109
C -5.267945 -0.104098 0.015245
H -1.214207 0.873894 1.146400
H -1.255981 0.411118 -1.507154
H -1.554473 -1.294587 -1.057614
H 1.143128 3.305592 0.876478
H -0.002294 2.817616 -0.378341
H -0.282168 2.365091 1.319362
H 0.276441 -2.789150 1.112050
H 1.217556 -3.376131 -0.278472
H -0.321716 -2.523922 -0.524643
H 4.246493 2.530502 0.739658
H 3.844803 2.738245 -0.971157
H 2.796674 3.432493 0.278479
H 2.914483 -3.318670 -0.477438
H 4.305145 -2.515981 0.271374
H 4.003027 -2.326269 -1.462690
H -2.037270 -1.042738 1.911372
H -3.888565 -1.876431 0.108196
H -3.219711 2.207875 -0.996723
H -6.246023 -0.440974 0.311577


%chk=000206017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206017

0 1
Cl 5.166488 0.026714 -0.586248
O -1.291238 -0.814155 1.642306
N -3.141442 -0.041681 -0.549779
N -5.198687 0.906774 -0.360416
C 0.612214 0.058983 0.331848
C -0.897145 0.121541 0.567564
C 1.344304 1.287698 0.338990
C 1.268826 -1.176287 0.052154
C -1.687967 -0.164320 -0.747785
C 2.743943 1.295894 0.054452
C 2.668143 -1.188188 -0.238987
C 3.352719 0.048148 -0.226671
C 0.646868 2.608365 0.658008
C 0.540160 -2.514557 0.056327
C 3.536212 2.593328 0.058082
C 3.364326 -2.501233 -0.544162
C -3.994194 -1.027641 -0.023027
C -3.916300 1.105469 -0.727333
C -5.252674 -0.426430 0.079228
H -1.179716 1.141104 0.885090
H -1.375399 0.561088 -1.520326
H -1.459037 -1.176021 -1.118664
H 1.355097 3.447685 0.686016
H -0.124563 2.865819 -0.093424
H 0.148441 2.574201 1.644835
H 1.123325 -3.272322 0.609542
H 0.413925 -2.906917 -0.973109
H -0.440406 -2.439257 0.544365
H 3.522012 3.069781 1.056108
H 4.587693 2.421059 -0.211022
H 3.120905 3.321007 -0.663273
H 2.784101 -3.101422 -1.267120
H 3.472940 -3.114976 0.371369
H 4.370285 -2.341536 -0.957791
H -2.233745 -0.624891 1.892123
H -3.649076 -2.038637 0.177374
H -3.511280 2.031187 -1.131066
H -6.183562 -0.864678 0.431419


