%chk=000298538.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298538

0 1
Cl -5.314870 3.635003 -1.288212
O 4.187082 -0.547507 0.981895
O 4.148720 1.738968 0.683352
O 1.932144 0.284833 -1.182087
O 1.615818 3.439495 -2.012435
O 0.194193 0.278002 1.538814
O -3.034511 -2.820502 0.474368
N 0.771749 -1.380001 0.033147
N -1.437785 -1.282971 1.033837
N -1.524159 -5.139487 -1.914605
C 2.807261 -0.185285 1.009659
C 2.772427 1.354411 0.806777
C 2.121137 -0.776425 -0.254428
C 1.975862 1.587189 -0.495456
C 4.994848 0.571426 0.491858
C 2.611412 2.560126 -1.489659
C 6.185037 0.714401 1.410447
C 5.297859 0.373145 -0.978251
C -0.159345 -0.706374 0.915050
C 0.374625 -2.492805 -0.704204
C -0.876145 -3.032183 -0.577243
C -1.900282 -2.445899 0.300248
C -2.429200 -0.556583 1.897385
C -3.148606 0.494778 1.092594
C -1.239057 -4.193995 -1.313113
C -4.301951 0.152249 0.370148
C -2.659281 1.809298 1.061096
C -4.979600 1.123455 -0.370099
C -3.328536 2.789300 0.324362
C -4.481484 2.428886 -0.377683
H 2.412080 -0.557085 1.974326
H 2.381935 1.939537 1.663440
H 2.758409 -1.529070 -0.779733
H 0.916627 1.855543 -0.272227
H 3.123725 2.024207 -2.309997
H 3.326619 3.247760 -0.987681
H 5.879699 0.635383 2.465105
H 6.938179 -0.062144 1.229889
H 6.662748 1.696353 1.286400
H 5.906834 1.197052 -1.372752
H 5.847658 -0.561006 -1.149702
H 4.378572 0.329258 -1.580238
H 1.120507 -2.931625 -1.388437
H 1.018847 2.960004 -2.626231
H -1.890625 -0.109661 2.766918
H -3.144862 -1.312269 2.307788
H -4.664144 -0.880488 0.379948
H -1.748647 2.065208 1.607744
H -5.878102 0.867569 -0.932099
H -2.958619 3.814326 0.296578


%chk=000298538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298538

0 1
Cl -5.981210 3.497307 -1.267187
O 4.207394 -0.643911 1.019014
O 4.442369 1.680084 0.700120
O 1.954061 0.593734 -1.156926
O 1.771463 3.257294 -2.344486
O 0.097754 0.531636 1.407175
O -2.986772 -2.888474 0.505221
N 0.742579 -1.204704 -0.027172
N -1.440109 -1.180600 0.955201
N -1.318588 -5.234092 -1.827059
C 2.845550 -0.106754 0.994695
C 2.995398 1.444362 0.867025
C 2.073962 -0.556866 -0.285276
C 2.138947 1.858276 -0.346758
C 5.139951 0.388039 0.469210
C 2.727633 2.906413 -1.290412
C 6.409703 0.367631 1.313609
C 5.382463 0.156324 -1.030457
C -0.197192 -0.546330 0.817880
C 0.421987 -2.372137 -0.691138
C -0.803647 -2.996398 -0.552356
C -1.840507 -2.404344 0.313180
C -2.459846 -0.500831 1.827409
C -3.326823 0.487439 1.056876
C -1.087189 -4.214460 -1.247126
C -4.513604 0.050105 0.414257
C -2.964881 1.856591 0.983259
C -5.326031 0.960255 -0.297214
C -3.766855 2.779384 0.275727
C -4.936870 2.312804 -0.354178
H 2.352473 -0.430020 1.920972
H 2.681455 1.981697 1.774336
H 2.667032 -1.324157 -0.812814
H 1.138786 2.176389 -0.005028
H 3.687135 2.549700 -1.709988
H 2.912868 3.842501 -0.739053
H 6.155120 0.531147 2.372498
H 6.919468 -0.605251 1.210972
H 7.095889 1.165142 0.982153
H 6.051285 0.941202 -1.424217
H 5.863720 -0.824783 -1.185073
H 4.436912 0.188378 -1.597896
H 1.196507 -2.789169 -1.339560
H 1.547274 2.432236 -2.846201
H -1.896417 0.006918 2.625559
H -3.072322 -1.310469 2.254831
H -4.795867 -1.007140 0.463585
H -2.048365 2.201054 1.474552
H -6.241680 0.624965 -0.792507
H -3.489561 3.835681 0.217367


