%chk=000126608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126608

0 1
 Br   7.639000      -1.169800     -0.8623000    
 O   -1.747100      0.1569000     -0.1653000    
 O   -1.075700       2.050700      -1.288600    
 O    5.673200       1.233900      0.5809000    
 N   -5.401500     -0.2541000      8.4899999E-02
 N    4.442100     -0.7645000      0.4013000    
 C   -3.984900     -0.5731000      0.2598000    
 C   -6.218600      -1.457700      0.2335000    
 C   -5.817400      0.7679000       1.044800    
 C   -3.111400      0.4980000     -0.3736000    
 C   -5.800100      -2.531100     -0.7568000    
 C   -7.271500       1.156300      0.8376000    
 C   0.5512000      0.5545000     -0.3942000    
 C  -0.8292000       1.023000     -0.6766000    
 C    1.583300       1.479900     -0.2390000    
 C   0.8161000     -0.8105000     -0.2845000    
 C    3.145100     -0.3248000      0.1352000    
 C    2.880300       1.040300      2.5699999E-02
 C    2.113000      -1.250300     -1.9900000E-02
 C    5.595800      8.2000000E-03  0.5953000    
 C    6.818500     -0.8336000      0.8617000    
 H   -3.723400     -0.7115000       1.317800    
 H   -3.678200      -1.502400     -0.2279000    
 H   -7.267100      -1.238800      6.5000001E-03
 H   -6.176700      -1.860700       1.253300    
 H   -5.673000      0.4371000       2.081400    
 H   -5.226600       1.680100      0.9136000    
 H   -3.309300      0.5580000      -1.451000    
 H   -3.288900       1.481000      7.3899999E-02
 H   -6.607900      -3.265900     -0.8564000    
 H   -4.921700      -3.094100     -0.4270000    
 H   -5.614900      -2.121700      -1.755900    
 H   -7.489900       1.365600     -0.2152000    
 H   -7.965700      0.3925000       1.200800    
 H   -7.490100       2.069400       1.403000    
 H    1.391300       2.546900     -0.3194000    
 H   3.3599999E-02  -1.553900     -0.4124000    
 H    3.625100       1.816500      0.1309000    
 H    2.305800      -2.317200      6.0600001E-02
 H    4.552900      -1.774700      0.4554000    
 H    7.534700     -0.2898000       1.481500    
 H    6.577500      -1.795400       1.319200    


%chk=000126608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126608

0 1
Br 6.964987 -2.576134 1.310654
O -1.759499 0.030013 -0.043191
O -1.165099 2.128654 -0.868835
O 5.903128 1.216290 -0.222182
N -5.465303 -0.444447 0.233495
N 4.606489 -0.634733 0.457078
C -4.019943 -0.744643 0.374280
C -6.303423 -1.647469 -0.013425
C -5.984731 0.424873 1.325204
C -3.193642 0.375302 -0.269337
C -6.156913 -2.197636 -1.444841
C -7.193548 1.275515 0.891647
C 0.572526 0.566641 -0.167332
C -0.829050 1.010845 -0.402737
C 1.625790 1.463224 -0.480546
C 0.885451 -0.717030 0.351671
C 3.276077 -0.184367 0.231774
C 2.971704 1.103809 -0.287236
C 2.224843 -1.088550 0.549361
C 5.788201 0.038840 0.235181
C 7.101062 -0.683400 0.562955
H -3.709952 -0.870908 1.438508
H -3.788671 -1.693844 -0.139980
H -7.358193 -1.357340 0.143688
H -6.085145 -2.457412 0.728461
H -6.248951 -0.177562 2.231064
H -5.168262 1.104954 1.632581
H -3.383987 0.439453 -1.354533
H -3.398983 1.364248 0.177915
H -6.815427 -3.074273 -1.590692
H -5.121520 -2.519354 -1.660343
H -6.431377 -1.421151 -2.179749
H -6.918486 1.918415 0.037703
H -8.048956 0.648075 0.582397
H -7.533676 1.917370 1.725720
H 1.367994 2.449370 -0.880446
H 0.074734 -1.409293 0.592687
H 3.780669 1.794898 -0.529227
H 2.462262 -2.082110 0.949987
H 4.706665 -1.585084 0.833724
H 7.704981 -0.774152 -0.352256
H 7.652876 -0.108797 1.321751


