%chk=000099948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000099948

0 1
Cl 6.011972 -2.570043 1.436462
O 3.116296 2.222853 -1.297154
O -5.584842 1.388297 -1.463398
O -7.223507 -0.341768 0.256339
N 0.532275 -0.023528 1.355929
C 3.470538 -0.696196 0.819157
C 4.833812 -0.473822 0.219665
C 2.632842 0.412958 0.229129
C 4.844242 0.653294 -0.638482
C 3.469522 1.252855 -0.664861
C -0.941598 0.089042 1.280108
C -1.547921 -0.797015 0.173884
C 1.320114 0.672876 0.445528
C 6.004414 -1.196151 0.399489
C 5.997304 1.048812 -1.298562
C -3.045846 -0.669630 0.171028
C 7.183065 -0.811933 -0.260455
C 7.173837 0.302340 -1.101123
C -3.659587 0.321847 -0.607124
C -3.827507 -1.526950 0.961458
C -5.054365 0.440127 -0.603616
C -5.838918 -0.446176 0.168968
C -5.220057 -1.422821 0.956761
C -6.469015 2.357192 -0.833981
C -7.908687 -0.699667 -0.976811
H 3.079437 -1.699549 0.560714
H 3.510672 -0.639959 1.925889
H -1.358324 -0.197406 2.273852
H -1.230707 1.153064 1.118322
H -1.247248 -1.854971 0.315304
H -1.130209 -0.512852 -0.815179
H 0.844321 1.528315 -0.066750
H 0.882045 -0.910751 1.708737
H 5.988179 1.919947 -1.955317
H 8.098481 -1.386150 -0.112047
H 8.089150 0.599379 -1.611892
H -3.074747 1.005111 -1.221803
H -3.350715 -2.287282 1.577161
H -5.837719 -2.090633 1.557054
H -5.869908 3.030129 -0.214414
H -7.246451 1.859311 -0.242805
H -6.890046 2.880220 -1.699385
H -7.542601 -0.090595 -1.810650
H -8.952437 -0.471724 -0.736173
H -7.769659 -1.766193 -1.172354


%chk=000099948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099948

0 1
Cl 6.309930 -2.396305 1.774425
O 3.165406 2.097217 -1.543519
O -5.749837 1.380857 -1.442053
O -7.396280 -0.249271 0.357391
N 0.524037 -0.236394 1.035343
C 3.605468 -0.716457 0.832456
C 4.996168 -0.412726 0.294133
C 2.735300 0.302989 0.107755
C 4.964062 0.658703 -0.637669
C 3.550911 1.146996 -0.788032
C -0.937374 -0.070623 1.032881
C -1.670881 -1.037391 0.052255
C 1.372779 0.475937 0.223383
C 6.230749 -1.010482 0.576416
C 6.129932 1.127814 -1.275637
C -3.178128 -0.841590 0.104458
C 7.418753 -0.568179 -0.043019
C 7.360853 0.504286 -0.970547
C -3.803047 0.156523 -0.683898
C -3.981786 -1.606033 0.989301
C -5.192922 0.384509 -0.607378
C -5.996331 -0.422937 0.250325
C -5.376934 -1.401667 1.056154
C -6.414103 2.495018 -0.724275
C -8.151185 -0.540862 -0.885189
H 3.321504 -1.767078 0.614870
H 3.579414 -0.604114 1.936132
H -1.320891 -0.230428 2.057963
H -1.170647 0.974539 0.760090
H -1.408280 -2.078973 0.318978
H -1.283791 -0.853617 -0.967371
H 0.907341 1.268357 -0.377823
H 0.910926 -1.001728 1.591606
H 6.063269 1.956666 -1.987377
H 8.372132 -1.050360 0.192471
H 8.286882 0.842718 -1.447499
H -3.221766 0.778870 -1.374250
H -3.518519 -2.380840 1.612022
H -6.011851 -2.002394 1.715370
H -5.670220 3.058310 -0.129562
H -7.215732 2.119994 -0.063046
H -6.830572 3.141427 -1.511492
H -7.796369 0.087093 -1.722085
H -9.201814 -0.313880 -0.648887
H -8.046659 -1.610292 -1.148969


