%chk=000094399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000094399

0 1
Cl 2.099880 -2.229369 -1.670092
F 4.534055 0.819552 0.068060
F 4.195154 -1.270332 0.078723
F 4.159494 -0.201531 -1.748209
O -1.208933 -2.660220 -0.204927
O -0.827273 -2.260455 -2.297645
O 0.544446 3.106093 1.844686
O -0.991864 3.249523 0.333512
N -1.958244 0.486679 -0.074863
N -0.742448 -2.003343 -1.113582
N -0.084751 2.662481 0.899366
C -2.679949 1.129354 1.064791
C -2.842232 0.014306 -1.185450
C -0.592569 0.364484 -0.134495
C -2.207207 0.581326 2.419117
C -3.765561 -1.141971 -0.770768
C 0.029874 -0.792335 -0.734911
C 0.325800 1.345237 0.384050
C 2.278933 0.075062 -0.324150
C 1.410941 -0.887495 -0.871086
C 1.717002 1.167971 0.331664
C -2.949168 1.270329 3.558686
C -4.204818 -1.943307 -1.990414
C 3.753148 -0.127289 -0.470423
H -3.770324 0.922475 0.946113
H -2.594930 2.242738 1.012027
H -2.233684 -0.249750 -2.080802
H -3.453023 0.891874 -1.512538
H -1.115413 0.717551 2.552727
H -2.373152 -0.515546 2.462769
H -4.651908 -0.751431 -0.233357
H -3.258479 -1.814977 -0.044131
H 2.363183 1.932393 0.795979
H -2.767884 2.353103 3.570944
H -4.032831 1.115781 3.501771
H -2.618995 0.881634 4.531351
H -4.729130 -1.325796 -2.727992
H -3.349479 -2.415499 -2.497550
H -4.885363 -2.755102 -1.702453


%chk=000094399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094399

0 1
Cl 2.284761 -2.555469 -1.284169
F 4.443359 1.186304 0.214699
F 4.392442 -1.054255 0.532138
F 4.381497 -0.204789 -1.570215
O -1.039114 -2.825183 0.084125
O -0.873380 -2.442019 -2.161122
O 0.527473 3.442760 1.299359
O -1.263505 3.070270 -0.066459
N -1.931592 0.242917 -0.011313
N -0.641828 -2.144754 -0.931667
N -0.179707 2.680660 0.527833
C -2.626826 0.901975 1.125142
C -2.811451 -0.110640 -1.172977
C -0.548191 0.246887 -0.144549
C -1.979745 0.647215 2.503230
C -3.823628 -1.254881 -0.935348
C 0.148006 -0.915127 -0.639474
C 0.321355 1.321433 0.251931
C 2.360282 0.050544 -0.234865
C 1.543627 -1.017850 -0.701657
C 1.725153 1.201021 0.252176
C -2.875061 1.195334 3.635920
C -4.676233 -1.490232 -2.201560
C 3.865000 -0.009012 -0.266391
H -3.642976 0.468809 1.138017
H -2.739800 1.991018 0.939639
H -2.173929 -0.345109 -2.041955
H -3.366486 0.814764 -1.435933
H -0.984473 1.123112 2.574807
H -1.824976 -0.441423 2.629871
H -4.489031 -1.002650 -0.087328
H -3.296559 -2.185132 -0.659434
H 2.316269 2.054295 0.593894
H -3.036682 2.283816 3.528114
H -3.864867 0.702020 3.640681
H -2.408029 1.021694 4.621038
H -5.227413 -0.576793 -2.494949
H -4.043713 -1.797346 -3.054562
H -5.417731 -2.289987 -2.030188


