%chk=000178883.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178883

0 1
 Br  -3.291900       3.043000       2.363400    
 F   -5.426800      -2.288900      0.1566000    
 F   -4.396800      -1.255400       1.761400    
 F   -4.708900     -0.2586000     -0.1458000    
 O    1.839300       2.936700     -0.4570000    
 O    4.210300      -2.279200      0.2609000    
 O    3.526800       2.166800      0.8902000    
 O    4.799700     -7.1099997E-02  0.4409000    
 N   0.4751000     -0.9898000     -0.1815000    
 N    1.650200      -1.629000     -5.2900001E-02
 C   0.5723000      0.3712000     -0.1073000    
 C    1.909200      0.6363000      8.4100001E-02
 C  -0.6924000      -1.731200     -0.3715000    
 C  -0.5501000       1.270700     -0.2179000    
 C    2.522500     -0.6306000      0.1091000    
 C   -1.901300      -1.236800      9.8600000E-02
 C  -0.6274000      -2.952800      -1.027800    
 C   -3.067600      -1.978200     -9.0999998E-02
 C    2.503100       1.933900      0.2226000    
 C   -1.253500       1.653400      0.9243000    
 C  -0.9312000       1.758500      -1.467800    
 C    3.916100     -0.9308000      0.2830000    
 C   -1.793600      -3.694200      -1.217300    
 C   -3.013700      -3.206900     -0.7488000    
 C   -2.338000       2.524000      0.8164000    
 C   -2.015800       2.628900      -1.575600    
 C   -4.372300      -1.458400      0.4110000    
 C   -2.719100       3.011600     -0.4335000    
 C    2.379400       4.259600     -0.3613000    
 C    5.583500      -2.649500      0.4285000    
 C    1.515400       5.204600      -1.168800    
 C    5.697500      -4.158100      0.3749000    
 H   -2.010800     -0.4136000      0.7722000    
 H   0.3058000      -3.353800      -1.414400    
 H  -0.9445000       1.290800       1.903600    
 H  -0.3933000       1.470100      -2.367800    
 H   -1.752200      -4.649700      -1.732000    
 H   -3.911100      -3.798700     -0.9065000    
 H   -2.312300       3.008900      -2.549000    
 H   -3.561900       3.690500     -0.5351000    
 H    3.402000       4.263500     -0.7542000    
 H    2.390700       4.571900      0.6886000    
 H    5.942800      -2.284000       1.396700    
 H    6.180700      -2.203100     -0.3741000    
 H    1.901400       6.226500      -1.119700    
 H    1.476300       4.890400      -2.217000    
 H   0.4855000       5.196900     -0.7967000    
 H    5.323200      -4.539000     -0.5810000    
 H    5.089200      -4.618500       1.160400    
 H    6.736100      -4.476600      0.4999000    


%chk=000178883-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178883

0 1
Br -2.191380 4.494889 2.279753
F -5.368041 -3.087000 0.596612
F -4.410768 -1.316370 1.651065
F -5.269833 -1.070385 -0.429674
O 2.072936 2.930844 -0.400426
O 4.199520 -2.199858 0.337186
O 3.143686 2.106547 1.503636
O 4.754750 0.003690 -0.203643
N 0.305784 -0.985403 -0.342912
N 1.542921 -1.628985 -0.299584
C 0.411941 0.395420 -0.104103
C 1.778962 0.633679 0.130860
C -0.854659 -1.802210 -0.566732
C -0.709639 1.356456 -0.169083
C 2.430553 -0.638106 -0.000344
C -2.087163 -1.497891 0.050585
C -0.723419 -2.949929 -1.385538
C -3.199812 -2.330417 -0.198495
C 2.414637 1.926804 0.501284
C -0.903254 2.276847 0.894720
C -1.570071 1.402522 -1.297717
C 3.896576 -0.881211 0.031225
C -1.841542 -3.778651 -1.606797
C -3.090922 -3.470524 -1.026772
C -1.944521 3.219883 0.808921
C -2.614146 2.347744 -1.354545
C -4.529251 -1.965861 0.399838
C -2.813601 3.269741 -0.300140
C 2.633769 4.288927 -0.104055
C 5.659057 -2.539150 0.348540
C 2.102085 5.225416 -1.182924
C 5.758736 -4.017992 0.704055
H -2.182522 -0.646106 0.727454
H 0.252515 -3.182048 -1.818702
H -0.253632 2.244875 1.774546
H -1.412406 0.713030 -2.133053
H -1.738922 -4.667194 -2.237005
H -3.960909 -4.110633 -1.198751
H -3.277991 2.376940 -2.224340
H -3.622682 4.003983 -0.343752
H 3.735547 4.209029 -0.109198
H 2.312343 4.582087 0.911951
H 6.157456 -1.886693 1.087907
H 6.074839 -2.309996 -0.649521
H 2.486843 6.247331 -1.011808
H 2.424579 4.895487 -2.185054
H 0.999271 5.261433 -1.164074
H 5.232525 -4.638864 -0.040755
H 5.316628 -4.214782 1.695355
H 6.820226 -4.325145 0.728003


