%chk=000179919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179919

0 1
Br 0.618666 -0.056673 2.985749
Cl -3.127086 2.399808 0.399510
Cl 5.767420 1.853348 1.964691
F -5.427285 -0.782193 -1.214137
F -5.373805 0.612023 0.377288
F -4.832245 1.215608 -1.580203
F 3.738933 0.334941 -2.648882
F 2.963659 -1.540745 -2.055187
F 1.663508 0.107735 -2.343557
O 0.772616 2.012726 0.588009
O -0.870542 2.352134 1.950969
O -1.782501 -3.808419 -1.089817
O 0.228338 -3.346749 -0.466499
N 0.849078 -0.957461 0.254631
N -0.321094 1.746281 1.055027
N -0.945848 -3.032464 -0.671127
C -0.469997 -0.629977 0.102185
C 1.996272 -0.145653 0.576299
C -1.073070 0.640477 0.416169
C -1.364120 -1.659245 -0.390040
C -3.255370 -0.125755 -0.411751
C 3.011008 0.133359 -0.357868
C -2.421215 0.874461 0.130010
C -2.719766 -1.385519 -0.645489
C 2.149399 0.238552 1.923876
C 4.183450 0.762521 0.089587
C -4.685731 0.210191 -0.702921
C 2.851761 -0.223587 -1.813535
C 3.305096 0.860516 2.376362
C 4.320118 1.103371 1.438820
H 1.130248 -1.967054 0.043419
H -3.351094 -2.203163 -1.042228
H 4.998460 0.994515 -0.606406
H 3.419438 1.161087 3.423347


%chk=000179919-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179919

0 1
Br 0.651906 -0.604165 3.155998
Cl -2.982367 2.612760 0.345713
Cl 5.537277 2.105887 2.344485
F -5.491791 -1.050256 -0.661899
F -5.347257 0.604488 0.875940
F -5.154772 1.084901 -1.332730
F 4.232378 0.253683 -2.382136
F 3.014207 -1.601407 -1.903039
F 1.974932 0.330763 -2.466995
O 0.640697 2.197591 -0.609309
O -0.123854 2.379634 1.535887
O -1.951106 -3.903003 -0.986099
O 0.241606 -3.326111 -0.833099
N 0.875865 -0.953112 -0.023414
N -0.098991 1.826958 0.376854
N -1.034986 -3.027197 -0.778253
C -0.458456 -0.631293 -0.111904
C 1.945642 -0.203040 0.550472
C -1.012581 0.674218 0.131455
C -1.426514 -1.645280 -0.471819
C -3.311427 -0.096061 -0.261217
C 3.048606 0.185596 -0.266296
C -2.391324 0.938245 0.067685
C -2.803908 -1.370557 -0.536961
C 2.014043 0.074603 1.941787
C 4.147006 0.880273 0.273314
C -4.799463 0.138100 -0.342581
C 3.062630 -0.184088 -1.732191
C 3.097816 0.788148 2.495001
C 4.144012 1.190710 1.646074
H 1.074335 -1.917437 -0.379137
H -3.477116 -2.189004 -0.803455
H 4.981269 1.175826 -0.366385
H 3.128389 1.008625 3.564555


