%chk=000179911.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179911

0 1
Cl 2.638363 2.519611 -0.801718
F 5.963619 -0.142398 -0.769193
F 4.839356 1.130950 -2.032045
F 5.315696 1.745450 -0.061985
F -5.477520 2.187349 0.845395
F -6.963882 1.653450 -0.613882
F -5.020133 2.323396 -1.244578
O -5.313208 0.276432 -0.342499
O -0.407222 1.473143 1.371653
O -0.149336 2.081133 -0.690239
O 3.381666 -3.647317 1.259478
O 1.234203 -3.611129 1.468871
N -0.135823 -1.566544 0.674615
N 0.124257 1.407767 0.280801
N 2.305771 -3.091661 1.153291
C 1.068073 -0.957141 0.501448
C 1.228005 0.428084 0.136386
C 2.283493 -1.732574 0.623061
C 3.619957 0.094160 -0.276945
C 2.464612 0.906394 -0.288921
C 3.521615 -1.200650 0.219008
C -1.441285 -0.995798 0.416600
C 4.905893 0.680314 -0.769077
C -2.331716 -0.837852 1.493606
C -1.815704 -0.695803 -0.905331
C -3.620380 -0.363428 1.247608
C -3.101502 -0.217910 -1.157314
C -3.973144 -0.064814 -0.073072
C -5.672319 1.615292 -0.334067
H 4.416630 -1.843991 0.304328
H -0.159890 -2.551840 1.048533
H -2.016880 -1.066049 2.514817
H -1.111605 -0.829915 -1.729619
H -4.338738 -0.229866 2.059110
H -3.426925 0.024457 -2.171226


%chk=000179911-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179911

0 1
Cl 2.939059 2.758317 -0.445104
F 5.967468 -0.598537 -0.933121
F 5.062105 1.126734 -2.085926
F 5.731749 1.420259 0.061647
F -5.323848 2.393129 -1.166599
F -7.297766 1.405413 -0.624594
F -5.870842 0.383843 -2.068766
O -5.432362 0.516705 0.227635
O -0.057598 1.608544 1.794006
O -0.065447 2.328025 -0.374963
O 3.174582 -3.906032 0.506164
O 1.056403 -3.604349 1.281521
N -0.120271 -1.320322 0.880983
N 0.353639 1.570589 0.574307
N 2.166895 -3.144941 0.748329
C 1.112733 -0.831599 0.532600
C 1.394326 0.556650 0.255416
C 2.254981 -1.718749 0.427744
C 3.730378 0.082589 -0.336071
C 2.655062 1.003886 -0.175376
C 3.511074 -1.260035 -0.007254
C -1.423547 -0.760810 0.684444
C 5.096451 0.507015 -0.814451
C -2.381718 -0.918513 1.717480
C -1.802066 -0.173164 -0.547506
C -3.702786 -0.480505 1.524345
C -3.121947 0.279512 -0.747293
C -4.052447 0.116775 0.297704
C -5.954301 1.154868 -0.875320
H 4.320098 -1.989679 -0.093135
H -0.062956 -2.302037 1.228492
H -2.086301 -1.364831 2.671789
H -1.082612 -0.086812 -1.367381
H -4.458277 -0.584425 2.307280
H -3.395915 0.733189 -1.702131


