%chk=000238987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238987

0 1
Cl 7.127463 0.271548 -1.944418
O -3.015484 0.294650 0.576736
O 0.366882 1.496741 0.493291
O -1.427578 0.073852 -1.022640
O 1.129075 -0.381336 1.565048
N 2.423865 0.791718 -0.030127
C -3.994796 -0.489650 -0.213275
C -4.678607 0.474788 -1.184023
C -4.931934 -1.035489 0.865792
C -5.902902 -0.197054 -1.817682
C -6.153018 -1.695556 0.213639
C -6.864551 -0.732630 -0.747401
C -1.769450 0.496540 0.052141
C -0.956592 1.303240 1.075227
C -1.497639 2.705394 1.252776
C 1.309748 0.503886 0.760452
C 3.639801 0.041042 -0.020009
C 4.664429 0.471724 -0.888603
C 3.826845 -1.075064 0.815297
C 5.860305 -0.243080 -0.887249
C 5.041887 -1.760099 0.781601
C 6.075683 -1.353126 -0.069438
H -3.436577 -1.290500 -0.743190
H -4.978079 1.396389 -0.648297
H -3.962418 0.794289 -1.966285
H -4.393753 -1.755279 1.510807
H -5.247507 -0.211431 1.536786
H -5.577073 -1.023492 -2.479468
H -6.428010 0.525511 -2.470688
H -6.855588 -2.033982 0.998737
H -5.841707 -2.608687 -0.330473
H -7.297816 0.112027 -0.177579
H -7.717358 -1.245314 -1.230468
H -0.867374 0.731832 2.032522
H -1.392940 3.300257 0.333017
H -2.564756 2.682826 1.522079
H -0.956587 3.244459 2.042758
H 2.348675 1.576505 -0.688143
H 4.535360 1.330950 -1.543679
H 3.026520 -1.409201 1.485119
H 5.186899 -2.627078 1.429060
H 7.022558 -1.889122 -0.093952


%chk=000238987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238987

0 1
Cl 7.217935 0.324955 -1.856385
O -3.012209 0.481170 0.724591
O 0.428779 1.736171 0.625643
O -1.356001 0.247313 -0.912156
O 0.941510 -0.411292 1.460060
N 2.427731 0.840514 0.093616
C -3.964248 -0.380226 -0.068257
C -4.664941 0.470668 -1.141918
C -4.948743 -0.973558 0.946437
C -5.738235 -0.376556 -1.872097
C -6.024701 -1.816954 0.215485
C -6.748782 -0.986867 -0.871979
C -1.754922 0.702084 0.180426
C -0.944465 1.592591 1.142607
C -1.523377 3.007719 1.261754
C 1.253152 0.596748 0.782704
C 3.570787 0.004413 0.007538
C 4.667534 0.486592 -0.757508
C 3.650790 -1.263603 0.642897
C 5.818018 -0.309715 -0.869245
C 4.827193 -2.029160 0.503715
C 5.930699 -1.569672 -0.252253
H -3.360938 -1.172508 -0.553341
H -5.146754 1.338614 -0.648837
H -3.919579 0.857222 -1.860068
H -4.401451 -1.587914 1.684696
H -5.434381 -0.145395 1.499307
H -5.241203 -1.192213 -2.436482
H -6.261074 0.252422 -2.616999
H -6.751286 -2.207038 0.952864
H -5.544860 -2.699043 -0.256678
H -7.321353 -0.169631 -0.386584
H -7.481706 -1.619197 -1.408516
H -0.912841 1.085326 2.124457
H -1.534013 3.510130 0.279473
H -2.554181 2.954537 1.648351
H -0.908381 3.604646 1.955598
H 2.443751 1.722936 -0.422455
H 4.621821 1.461649 -1.254247
H 2.803388 -1.630331 1.224640
H 4.887757 -3.007195 0.992790
H 6.839677 -2.167352 -0.357844


