%chk=000127699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127699

0 1
 Br -0.9022000      -1.606500      -3.283800    
 S    2.228000      -2.173600      0.6295000    
 P    3.843500     -0.7901000      0.5909000    
 O   0.6134000       1.204100     -0.8530000    
 O    1.057600       4.299200      0.9165000    
 O  -0.4197000       4.185200      -1.376200    
 O    3.248300      0.5999000     -3.5599999E-02
 O    4.237500     -0.5588000       2.034200    
 O    4.844500      -1.351800     -0.3963000    
 O   -3.242300      -2.115100       2.706800    
 O  -0.3738000      -3.198800     -0.2949000    
 N   -1.784900      0.9722000     -0.5473000    
 N   -1.084200      -1.347700       2.817600    
 C   0.4736000       3.058300      0.5827000    
 C  -0.6750000       3.176500     -0.4007000    
 C    1.440900       2.151700     -0.1587000    
 C  -0.6764000       1.809500      -1.079400    
 C    2.406000       1.419000      0.7562000    
 C   -1.563000      0.2208000      0.5398000    
 C   -2.969900      0.9970000      -1.172400    
 C   -2.579100     -0.5692000       1.058300    
 C   -4.022500      0.2270000     -0.6985000    
 C   -3.820400     -0.5630000      0.4292000    
 C   -2.349100      -1.387500       2.236600    
 C    1.781100      -2.429300      -1.099800    
 C   0.3772000      -2.984400      -1.246600    
 C  -8.9000002E-02  -3.244700      -2.655300    
 H   0.1255000       2.574000       1.502900    
 H   -1.615800       3.436900      9.3999997E-02
 H    2.009700       2.706500     -0.9160000    
 H  -0.8106000       1.875100      -2.165500    
 H    1.856900      0.7958000       1.469600    
 H    3.030500       2.123600       1.314000    
 H   0.3550000       4.862600       1.282900    
 H   -1.167500       4.183100      -1.997900    
 H  -0.5748000      0.2891000      0.9621000    
 H   -3.064800       1.636400      -2.041600    
 H   -4.985500      0.2418000      -1.197500    
 H   -4.645100      -1.165600      0.8001000    
 H    1.836100      -1.471200      -1.623000    
 H    2.491200      -3.128600      -1.549200    
 H  -0.8949000      -1.915100       3.637900    
 H  -0.3027000     -0.7915000       2.494900    
 H   0.7424000      -3.505500      -3.312600    
 H  -0.8423000      -4.035100      -2.672800    


%chk=000127699-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127699

0 1
Br 0.956448 0.631275 -4.397711
S 0.711275 -2.629624 0.052662
P 2.205066 -1.369394 1.456669
O 0.546883 0.618439 -0.659942
O 1.268531 4.209827 -0.331973
O -0.763210 3.449805 -1.858683
O 2.944700 -0.201950 0.297766
O 1.205523 -0.476815 2.390959
O 3.342209 -2.304285 2.057862
O -3.199472 -1.369707 4.127626
O -0.818436 -1.440709 -2.394730
N -1.754535 0.398532 -0.088501
N -0.894504 -1.044442 3.909795
C 0.718692 2.920023 0.015263
C -0.708241 2.691968 -0.601761
C 1.549871 1.709841 -0.494164
C -0.750783 1.164858 -0.927165
C 2.614353 1.214536 0.502338
C -1.419658 -0.003994 1.183153
C -2.974523 0.110966 -0.650570
C -2.391885 -0.637535 1.986577
C -3.957967 -0.531181 0.106887
C -3.674131 -0.887559 1.443846
C -2.172280 -1.050121 3.439010
C 1.411941 -2.169837 -1.622594
C 0.402449 -1.638409 -2.621027
C 0.986781 -1.362234 -4.018294
H 0.659170 2.896831 1.117068
H -1.512912 3.001681 0.088968
H 1.982355 1.930090 -1.489574
H -1.040855 1.009315 -1.982497
H 2.253950 1.362674 1.537894
H 3.550606 1.778352 0.346546
H 0.969740 4.405762 -1.262908
H -1.583993 3.994717 -1.913574
H -0.374416 0.147186 1.511612
H -3.111819 0.390641 -1.696322
H -4.923140 -0.757227 -0.351546
H -4.411630 -1.365675 2.096927
H 2.180955 -1.384379 -1.463839
H 1.926329 -3.051447 -2.052600
H -0.775888 -1.328504 4.884752
H -0.024293 -0.849487 3.332717
H 2.038706 -1.663532 -4.122041
H 0.355437 -1.807071 -4.802783


