%chk=000170644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170644

1 1
 Br   2.614600       3.239000     -0.3915000    
 Br   5.646600     -5.4600000E-02  -1.720500    
 S    1.714700     -0.9592000       1.228400    
 O    2.378900      0.2097000      0.2951000    
 O    1.295400     -0.3717000       2.488300    
 O    2.602500      -2.108900       1.193400    
 O   -4.265400     -0.5541000      -1.164200    
 N   -4.225400       1.935900      1.3100000E-02
 N   -5.093600       2.592800     -5.5399999E-02
 C  -0.8753000     -0.5647000      0.2941000    
 C   0.2421000      -1.410800      0.3821000    
 C   -2.023300      -1.004900     -0.4067000    
 C   0.2278000      -2.673100     -0.2120000    
 C  -0.8782000      0.7089000      0.8861000    
 C   -2.020000      -2.278300     -0.9988000    
 C   -3.140500     -0.1585000     -0.4947000    
 C    3.602600      0.8046000      0.6992000    
 C  -0.9012000      -3.106000     -0.9012000    
 C    4.023900       1.859600     -0.3200000    
 C   -3.126300       1.103700      9.9900000E-02
 C   -1.997200       1.536700      0.7888000    
 C    4.197400       1.253900      -1.703500    
 H    1.076600      -3.348300     -0.1654000    
 H  -2.5200000E-02   1.139500       1.395400    
 H   -2.865500      -2.661600      -1.563000    
 H    3.451800       1.275700       1.678300    
 H    4.364500      3.0800000E-02  0.8316000    
 H    4.930100       2.376200      1.2200000E-02
 H  -0.9100000      -4.086900      -1.367700    
 H   -1.975000       2.523100       1.244800    
 H    4.476300       2.012700      -2.441500    
 H    3.304700      0.7353000      -2.066000    
 H   -4.370600      -1.516400      -1.101800    


%chk=000170644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170644

1 1
Br 2.296774 3.209700 0.104102
Br 5.454080 0.544598 -2.279080
S 1.800709 -1.219190 1.495427
O 2.481172 -0.069371 0.199982
O 1.475404 -0.340682 2.816439
O 2.657720 -2.580420 1.600132
O -4.217737 -0.363882 -1.262566
N -3.949656 2.060084 -0.271448
N -4.833032 2.792239 -0.447498
C -0.803856 -0.627021 0.340803
C 0.218786 -1.603806 0.507941
C -1.979455 -1.064118 -0.400677
C 0.152122 -2.900666 0.006328
C -0.716327 0.720695 0.853262
C -2.052333 -2.400521 -0.918653
C -3.045598 -0.125431 -0.597412
C 3.691444 0.671546 0.645323
C -1.007909 -3.303386 -0.720505
C 3.833890 1.890028 -0.267608
C -2.913119 1.195443 -0.066043
C -1.742842 1.623220 0.659476
C 3.804681 1.615460 -1.768501
H 0.981562 -3.596342 0.179456
H 0.171466 1.034311 1.407007
H -2.928376 -2.745943 -1.481325
H 3.585302 0.988478 1.698936
H 4.578635 0.022301 0.525122
H 4.730050 2.460670 0.027336
H -1.070415 -4.319461 -1.118618
H -1.683545 2.645707 1.041150
H 3.870479 2.540464 -2.356369
H 2.943336 1.003277 -2.067664
H -4.325614 -1.277882 -1.627357


