%chk=000244817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244817

0 1
Cl -7.901711 -0.034610 0.446075
O 0.919247 1.827138 -2.444639
O 4.822314 1.631174 1.435483
O 3.051071 -2.665962 -0.310840
O 5.241085 -1.280420 1.116656
N -2.814885 0.672913 0.044798
N -0.237481 1.854000 -0.478327
C -1.579880 0.083095 0.656241
C -2.525575 1.269817 -1.303811
C -0.536093 1.208410 0.825084
C -1.459261 2.373723 -1.152759
C -3.932951 -0.256968 -0.020578
C 0.859915 1.486005 -1.275416
C -5.227072 0.266462 0.221022
C -3.762653 -1.627636 -0.282988
C 1.984045 0.754901 -0.585139
C -6.303197 -0.634172 0.175931
C -5.481084 1.703406 0.520403
C -4.859861 -2.490989 -0.303510
C 2.056983 -0.631588 -0.710656
C 2.922750 1.475173 0.148384
C -6.146288 -1.997386 -0.076833
C 4.005827 0.788388 0.735885
C 3.139198 -1.315153 -0.120788
C 4.149836 -0.608507 0.571735
C 5.835066 1.073376 2.313984
C 3.936775 -3.547012 0.429142
C 6.363202 -1.359615 0.188010
H -1.146262 -0.750400 0.062379
H -1.851397 -0.328645 1.653061
H -3.467010 1.711849 -1.697957
H -2.189320 0.510816 -2.043255
H -0.933010 1.995423 1.509696
H 0.388863 0.809804 1.293555
H -1.186155 2.782710 -2.154687
H -1.854092 3.215770 -0.541259
H -2.767857 -2.025927 -0.478607
H -6.039344 1.822003 1.462264
H -4.551032 2.282738 0.631697
H -6.079216 2.177187 -0.271306
H -4.713152 -3.551788 -0.503427
H 1.315413 -1.196785 -1.271363
H 2.849950 2.555612 0.267887
H -7.010536 -2.660020 -0.097402
H 6.718585 0.825783 1.719738
H 5.460595 0.193350 2.848000
H 6.027307 1.911955 2.994210
H 3.397219 -4.500353 0.379303
H 4.067760 -3.206054 1.461934
H 4.896740 -3.599590 -0.091334
H 6.071081 -1.911851 -0.709768
H 7.110490 -1.904957 0.772651
H 6.708756 -0.354992 -0.072254


%chk=000244817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244817

0 1
Cl -8.162918 1.274318 0.268422
O 0.877558 0.841605 -2.748841
O 4.230817 1.331049 2.098918
O 4.880998 -2.119448 -1.403179
O 5.876073 -0.756724 0.937359
N -2.965137 0.353634 0.021423
N -0.272404 1.044718 -0.732322
C -1.816814 -0.333080 0.647975
C -2.656659 0.747590 -1.381342
C -0.574181 0.589125 0.640412
C -1.425193 1.670942 -1.417290
C -4.280271 -0.137538 0.300341
C 0.863416 0.721766 -1.479991
C -5.405179 0.751582 0.170532
C -4.482228 -1.473024 0.747531
C 2.105829 0.272303 -0.750622
C -6.679078 0.203151 0.440603
C -5.222724 2.218995 -0.158270
C -5.774800 -1.954638 1.036777
C 2.888031 -0.748345 -1.341383
C 2.562875 0.911405 0.427128
C -6.899841 -1.120657 0.867532
C 3.805332 0.560678 1.002965
C 4.111039 -1.125925 -0.756763
C 4.605132 -0.450335 0.398112
C 4.712472 0.608076 3.297324
C 5.152033 -3.331067 -0.595023
C 7.008270 -0.353071 0.062125
H -1.556555 -1.281540 0.117867
H -2.069726 -0.579308 1.694372
H -3.521934 1.267983 -1.819356
H -2.457056 -0.156637 -2.001504
H -0.776671 1.466680 1.286576
H 0.287212 0.040301 1.049418
H -1.125562 1.873712 -2.458059
H -1.666417 2.623225 -0.904859
H -3.626822 -2.147906 0.846915
H -5.944695 2.833151 0.405454
H -4.198646 2.536322 0.101213
H -5.394482 2.435773 -1.230581
H -5.912402 -2.987889 1.372735
H 2.561435 -1.232920 -2.265359
H 2.001182 1.728569 0.889919
H -7.913118 -1.479753 1.064376
H 5.568434 -0.040243 3.050082
H 3.891209 0.005933 3.732387
H 5.009876 1.398118 4.003368
H 5.780767 -3.970582 -1.232825
H 4.202923 -3.850261 -0.362216
H 5.682097 -3.074445 0.339519
H 6.935536 -0.857829 -0.917386
H 7.917609 -0.669910 0.595068
H 7.007056 0.743972 -0.071272


