%chk=000217743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217743

0 1
Cl -1.646980 2.477375 1.561727
O -3.607451 0.673984 -0.138326
O 3.174429 -1.408004 0.198552
O -2.969106 -0.080602 1.899448
O 2.273957 -0.011777 1.722679
N -0.569774 -2.059455 -1.559589
C -0.238600 0.065458 0.335178
C -1.588843 -0.501057 -0.046963
C 0.873680 -0.903060 -0.025314
C -0.055220 1.409514 -0.359337
C -1.727714 -1.440216 -1.013605
C 0.698409 -1.866026 -0.978868
C -2.739624 0.022551 0.718099
C 2.102889 -0.689958 0.735149
C -3.024736 -1.950119 -1.541929
C 1.765277 -2.778331 -1.474197
C -0.656444 2.571543 0.149505
C 0.709847 1.539594 -1.528418
C -0.498687 3.822703 -0.450716
C 0.877090 2.782737 -2.145444
C 0.278011 3.925839 -1.607488
C -4.785071 1.316780 0.439940
C 4.477025 -1.236471 0.830280
C -5.841324 0.279611 0.763795
C 5.256236 -0.225510 0.048256
C 6.577855 -0.102346 0.135977
H -0.202982 0.222992 1.455066
H -0.682751 -2.746751 -2.299820
H -3.009959 -2.136064 -2.624108
H -3.331476 -2.880264 -1.040177
H -3.835257 -1.210870 -1.374474
H 2.612907 -2.196766 -1.888203
H 2.211856 -3.346288 -0.634119
H 1.450687 -3.500633 -2.233913
H 1.185131 0.660918 -1.963612
H -0.974343 4.703595 -0.020904
H 1.478622 2.860300 -3.049376
H 0.413700 4.893787 -2.086253
H -4.466555 1.890296 1.329991
H -5.075138 1.997329 -0.380731
H 4.898402 -2.256673 0.781488
H 4.342483 -0.924585 1.888273
H -6.079771 -0.345258 -0.103706
H -6.770998 0.750108 1.104830
H -5.498814 -0.388970 1.569388
H 4.646334 0.413327 -0.595194
H 7.138130 0.638568 -0.417083
H 7.203763 -0.717854 0.765547


%chk=000217743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217743

0 1
Cl -0.022667 2.934499 1.978576
O -4.086448 0.059846 -0.255853
O 3.078419 -1.458046 0.514334
O -2.731484 1.051001 1.355821
O 2.110095 0.346179 1.636908
N -0.506592 -1.867288 -1.727883
C -0.308682 0.249933 0.155477
C -1.665107 -0.301957 -0.332115
C 0.834149 -0.750905 -0.093882
C -0.005736 1.604631 -0.524743
C -1.715376 -1.281072 -1.306440
C 0.726931 -1.716914 -1.079186
C -2.830051 0.319277 0.335222
C 2.019108 -0.547452 0.752708
C -2.918908 -1.889539 -1.994677
C 1.788223 -2.689246 -1.552438
C 0.140711 2.832417 0.167221
C 0.141851 1.650477 -1.939030
C 0.420708 4.044897 -0.501045
C 0.420564 2.847555 -2.628149
C 0.561629 4.054073 -1.904574
C -5.262487 0.674285 0.432198
C 4.301872 -1.242416 1.357664
C -5.763192 -0.220310 1.570179
C 5.210414 -0.212505 0.736337
C 6.470423 -0.477308 0.310491
H -0.379377 0.441901 1.239501
H -0.566488 -2.576340 -2.459866
H -2.785163 -1.853981 -3.094136
H -3.036106 -2.952115 -1.704807
H -3.834130 -1.348967 -1.732562
H 2.730607 -2.169928 -1.782104
H 2.027633 -3.425076 -0.766156
H 1.447428 -3.233828 -2.453195
H 0.033129 0.717836 -2.503610
H 0.526286 4.967661 0.077358
H 0.526658 2.842165 -3.718551
H 0.778634 4.995117 -2.421579
H -4.967371 1.669103 0.808008
H -6.008004 0.776737 -0.373590
H 4.775755 -2.235950 1.403422
H 3.968772 -0.919608 2.360953
H -6.004343 -1.232812 1.201664
H -6.679573 0.214289 2.011785
H -5.002934 -0.299088 2.364865
H 4.796152 0.801592 0.661818
H 7.110113 0.305952 -0.110908
H 6.903059 -1.483772 0.379869


