%chk=000229047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229047

0 1
Cl -3.620957 1.032599 -2.203936
Cl -4.998510 0.972938 0.287815
Cl -2.834975 2.798800 -0.101994
Cl 3.624375 -1.032150 -2.203330
Cl 5.001349 -0.972217 0.288731
Cl 2.838757 -2.799025 -0.101832
O -3.058024 -1.143473 -0.316757
O 3.059998 1.143362 -0.315999
O 0.001116 -0.000357 1.389075
O -4.034475 -1.407930 1.705085
O 4.035938 1.408017 1.706057
N -1.181857 0.172608 -0.597770
N 1.184510 -0.173574 -0.597499
C -2.466024 0.114467 0.091733
C 2.468523 -0.114909 0.092219
C 0.001246 -0.000435 0.174385
C -3.430099 1.195752 -0.465745
C 3.433210 -1.195652 -0.465207
C -3.850142 -1.847860 0.602974
C 3.851543 1.848027 0.603985
C -4.326326 -3.085301 -0.058252
C 4.327129 3.085877 -0.056908
H -2.372269 0.176433 1.215955
H 2.374576 -0.177055 1.216420
H -1.200364 -0.102894 -1.585430
H 1.203118 0.101598 -1.585248
H -3.975463 -3.173690 -1.100878
H -3.981487 -3.979817 0.487941
H -5.429294 -3.119914 -0.074796
H 3.976150 3.174380 -1.099483
H 5.430076 3.121040 -0.073526
H 3.981952 3.980057 0.489615


%chk=000229047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229047

0 1
Cl -3.546256 1.011344 -2.603672
Cl -5.015647 1.240744 0.036747
Cl -2.530571 2.887540 -0.449391
Cl 3.549923 -1.010808 -2.602944
Cl 5.018495 -1.240232 0.037923
Cl 2.534161 -2.887791 -0.449390
O -3.162587 -1.167586 -0.386444
O 3.164551 1.167598 -0.385634
O 0.001105 -0.000320 1.244350
O -3.503559 -1.385104 1.924280
O 3.504634 1.385192 1.925212
N -1.168917 0.076650 -0.786353
N 1.171541 -0.077511 -0.786104
C -2.454513 0.121609 -0.160121
C 2.457015 -0.121948 -0.159592
C 0.001216 -0.000642 -0.014443
C -3.347164 1.245668 -0.752471
C 3.350280 -1.245571 -0.751856
C -3.627974 -1.850025 0.777650
C 3.629286 1.850181 0.778634
C -4.266592 -3.160345 0.388635
C 4.267454 3.160799 0.389882
H -2.328162 0.282501 0.928930
H 2.330491 -0.283001 0.929414
H -1.145085 -0.004646 -1.805555
H 1.147904 0.003849 -1.805305
H -4.246143 -3.311240 -0.699461
H -3.734444 -3.986666 0.891089
H -5.309734 -3.176381 0.748911
H 4.247002 3.311880 -0.698188
H 5.310582 3.177125 0.750190
H 3.735009 3.986841 0.892476


