%chk=000051547.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051547

0 1
 Br   6.986900      -1.197400      -1.578500    
 O    1.619000      -1.825700       1.000900    
 O   -1.147100     -0.5476000      0.4364000    
 O   -2.837900     -7.7000000E-02   1.902600    
 N   -3.247200     -0.6254000     -0.3361000    
 C    2.069500      0.2690000      0.3138000    
 C    3.186800     -0.5472000     -4.6000001E-03
 C    1.148800     -0.5536000      0.9207000    
 C    2.860100      -1.824800      0.4378000    
 C    1.851600       1.668600      9.0400003E-02
 C  -0.1953000     -0.3346000       1.479900    
 C    4.436400     -0.3476000     -0.6171000    
 C    3.696600      -2.932800      0.3136000    
 C    1.257400       2.103900      -1.095300    
 C    2.234100       2.599200       1.058200    
 C    5.299600      -1.443200     -0.7564000    
 C    4.933900      -2.711700     -0.2987000    
 C    1.046300       3.465500      -1.312600    
 C    2.022900       3.960700      0.8409000    
 C    1.429000       4.393900     -0.3445000    
 C   -2.465500     -0.3859000      0.7773000    
 C   -4.656000     -0.5717000     -0.4384000    
 C   -5.260100     -0.8476000      -1.654700    
 C   -5.405700     -0.2425000      0.6797000    
 C   -6.650200     -0.7931000      -1.755500    
 C   -6.795800     -0.1881000      0.5789000    
 C   -7.418100     -0.4634000     -0.6387000    
 H  -0.3866000      -1.038800       2.298100    
 H  -0.2944000      0.6861000       1.866000    
 H    4.720400      0.6388000     -0.9729000    
 H    3.405700      -3.913300      0.6712000    
 H   0.9526000       1.393600      -1.860300    
 H    2.698700       2.278900       1.987900    
 H    5.612300      -3.554800     -0.4126000    
 H   0.5837000       3.802900      -2.235500    
 H    2.320900       4.683700       1.594500    
 H    1.264500       5.454100     -0.5136000    
 H   -2.750200     -0.8714000      -1.188800    
 H   -4.671500      -1.105200      -2.530900    
 H   -4.996900     -1.6899999E-02   1.653800    
 H   -7.134900      -1.007300      -2.703500    
 H   -7.394900      6.8499997E-02   1.447800    
 H   -8.500600     -0.4210000     -0.7172000    


%chk=000051547-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051547

0 1
Br 6.939670 -1.621361 -1.257505
O 1.299279 -1.635498 1.094617
O -1.339651 0.052822 0.340723
O -3.017369 -0.443400 1.930920
N -3.426405 -0.375777 -0.406982
C 2.048792 0.457133 0.407128
C 3.110414 -0.521845 0.170456
C 0.986778 -0.252626 0.960682
C 2.607047 -1.782300 0.603650
C 2.079658 1.904549 0.112726
C -0.346268 0.157276 1.462996
C 4.409042 -0.460486 -0.396994
C 3.328327 -2.981492 0.527175
C 0.934084 2.568834 -0.410082
C 3.259539 2.665111 0.346976
C 5.135620 -1.661254 -0.476746
C 4.626642 -2.908703 -0.023481
C 0.967800 3.953828 -0.679058
C 3.291233 4.048404 0.072423
C 2.145614 4.699684 -0.441892
C -2.660159 -0.278983 0.739238
C -4.818646 -0.659352 -0.504767
C -5.379770 -0.719735 -1.808413
C -5.642461 -0.873748 0.631107
C -6.752496 -0.991817 -1.976109
C -7.015319 -1.144344 0.444387
C -7.580916 -1.205693 -0.849788
H -0.691564 -0.487488 2.289273
H -0.332539 1.208966 1.795062
H 4.824427 0.476657 -0.774778
H 2.907585 -3.929338 0.872067
H 0.029936 1.989611 -0.629831
H 4.140728 2.178413 0.779660
H 5.237655 -3.811229 -0.107672
H 0.078282 4.448733 -1.084446
H 4.206187 4.619184 0.265839
H 2.171506 5.773664 -0.656292
H -2.915100 -0.230861 -1.280473
H -4.742912 -0.555164 -2.687168
H -5.207590 -0.829766 1.631674
H -7.173306 -1.036613 -2.986632
H -7.647195 -1.309146 1.324363
H -8.647381 -1.417048 -0.980030


