%chk=000184357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184357

0 1
Cl 5.514097 0.504439 -1.392240
Cl 6.302977 -0.663926 1.067439
Cl 4.356739 -1.970266 -0.528250
Cl -6.393333 2.081347 0.591581
O 3.999227 0.638180 1.932046
N -0.004277 -0.058726 -0.249714
N 2.722538 0.837817 0.053988
N -3.704809 -2.205482 -0.015885
C 0.480683 0.428908 1.086076
C 1.099587 -0.724288 -1.013123
C 1.620171 1.442236 0.865336
C 2.220079 0.313771 -1.242004
C -1.229437 -0.817384 -0.158214
C -2.456522 -0.073446 0.009490
C 3.829840 0.370981 0.758795
C -1.288565 -2.193329 -0.277630
C -3.670538 -0.817583 0.094731
C -2.521493 1.353430 0.055087
C 4.947719 -0.396776 0.001541
C -2.556846 -2.847317 -0.209098
C -4.915904 -0.136606 0.287761
C -3.719973 2.000316 0.229310
C -4.910926 1.231987 0.355949
H 0.828667 -0.405972 1.735455
H -0.359943 0.920771 1.624044
H 0.697721 -1.056778 -1.996782
H 1.508190 -1.623226 -0.500992
H 1.252310 2.338745 0.316024
H 2.018335 1.793164 1.848000
H 3.021661 -0.118045 -1.871670
H 1.817663 1.186452 -1.815545
H -0.399875 -2.804221 -0.404755
H -1.598702 1.924948 -0.073064
H -2.607983 -3.940846 -0.305992
H -5.831385 -0.728177 0.369400
H -3.779793 3.088202 0.264506


%chk=000184357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184357

0 1
Cl 5.412480 0.721295 -1.710166
Cl 6.689280 0.198635 0.960011
Cl 4.818943 -1.870179 -0.163874
Cl -6.371167 2.328521 0.827349
O 4.160376 1.280639 1.821580
N -0.009415 -0.323060 -0.163546
N 2.687695 0.641047 0.141223
N -3.930803 -2.122795 -0.247635
C 0.435997 0.304385 1.112625
C 1.108996 -1.008882 -0.845581
C 1.567161 1.313340 0.850403
C 2.253730 -0.007291 -1.118583
C -1.300395 -0.904957 -0.225207
C -2.483785 -0.096736 0.011795
C 3.937454 0.691246 0.726513
C -1.497005 -2.260446 -0.554664
C -3.769339 -0.767674 0.025935
C -2.456842 1.327259 0.159782
C 5.139295 -0.013664 0.001952
C -2.813182 -2.809025 -0.556759
C -4.957110 -0.013053 0.296256
C -3.624957 2.056078 0.397492
C -4.864439 1.360616 0.489113
H 0.807303 -0.481388 1.808707
H -0.410191 0.807722 1.603305
H 0.753150 -1.403299 -1.812999
H 1.506301 -1.858334 -0.243497
H 1.195395 2.142451 0.216880
H 1.954315 1.724455 1.795154
H 3.085379 -0.529594 -1.606720
H 1.888584 0.781763 -1.804422
H -0.652233 -2.923968 -0.757498
H -1.511815 1.864162 0.032296
H -2.951636 -3.871861 -0.789862
H -5.908886 -0.549275 0.321593
H -3.600733 3.145166 0.492651


