%chk=000239716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239716

0 1
Cl 1.306925 -0.556869 2.673986
Cl 1.304161 -0.554146 -2.673571
Cl 4.278691 0.444814 -2.686794
Cl 4.281451 0.442006 2.685166
Cl 5.739390 0.932497 -0.001316
O 0.225075 -1.100047 0.000584
O -3.278752 -2.964103 0.000144
O -1.114271 -3.060951 0.001030
O -4.417297 3.134658 0.000217
O -5.560669 1.294756 0.000304
N -2.169290 -2.459951 0.000575
N -4.516041 1.919558 0.000279
C -0.877851 -0.288586 0.000423
C 1.494651 -0.497159 0.000135
C -2.113577 -0.985238 0.000471
C 2.138612 -0.275429 1.225573
C 2.137366 -0.274166 -1.225738
C -0.837939 1.120251 0.000308
C -3.310299 -0.252984 0.000412
C -3.260467 1.143961 0.000318
C -2.025334 1.833108 0.000261
C 3.467559 0.171457 -1.220352
C 3.468819 0.170184 1.219270
C 4.128745 0.392416 -0.000761
H 0.118755 1.645494 0.000261
H -4.280585 -0.784028 0.000432
H -2.025726 2.932996 0.000182


%chk=000239716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239716

0 1
Cl 1.319549 -0.580355 2.754663
Cl 1.317560 -0.579427 -2.754591
Cl 4.371726 0.508912 -2.785612
Cl 4.373757 0.507893 2.783845
Cl 5.890095 1.043083 -0.001338
O 0.273636 -1.121284 0.000329
O -3.521882 -2.953456 -0.000683
O -1.261966 -3.232915 0.000614
O -4.419427 3.221461 0.000557
O -5.644234 1.293737 0.000374
N -2.313634 -2.495179 0.000188
N -4.526560 1.934998 0.000806
C -0.891722 -0.352383 0.000440
C 1.537281 -0.494951 -0.000032
C -2.158806 -1.010936 0.000376
C 2.200975 -0.260749 1.225436
C 2.200092 -0.260335 -1.225892
C -0.850411 1.065345 0.000608
C -3.348410 -0.256641 0.000478
C -3.271387 1.144391 0.000674
C -2.030691 1.819418 0.000735
C 3.531993 0.211448 -1.229149
C 3.532887 0.211007 1.227889
C 4.198460 0.446531 -0.000830
H 0.118521 1.572827 0.000640
H -4.313391 -0.770108 0.000393
H -2.011906 2.912165 0.000880


