%chk=000178471.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178471

0 1
 Br -0.1641000       1.342200      -2.068000    
 S    4.434900      0.8946000       1.017600    
 N    2.298600     -0.6725000      0.3841000    
 N    2.263600       1.343700     -0.5463000    
 N   -1.774400      0.2249000       1.250100    
 N   -3.942000     -7.0299998E-02 -0.5052000    
 C    1.175100     -0.5937000     -0.3568000    
 C   0.2866000      -1.727600     -0.4042000    
 C  -0.8761000      -1.923900      0.5696000    
 C    2.932600      0.5303000      0.2403000    
 C    1.152600      0.6313000     -0.9223000    
 C   -1.917700     -0.8650000      0.4701000    
 C    2.750800      -1.793800       1.183100    
 C   0.5032000      -2.638500      -1.373100    
 C   -2.982400      -1.009900     -0.3920000    
 C   -3.798600       1.019500      0.2749000    
 C   -2.733900       1.164500       1.136800    
 C   -4.840900       2.078000      0.1762000    
 C    5.231900       2.066300     -0.1348000    
 H  -0.4722000      -1.932400       1.590900    
 H   -1.339500      -2.910600      0.4377000    
 H    2.917900      -1.445500       2.206100    
 H    2.013500      -2.596800       1.207700    
 H    3.680000      -2.170400      0.7468000    
 H  -0.1299000      -3.514200      -1.474300    
 H    1.313100      -2.536000      -2.089500    
 H   -3.105800      -1.881400      -1.024300    
 H   -2.611000       2.037900       1.766500    
 H   -5.611700       1.804100     -0.5516000    
 H   -5.328200       2.224500       1.145300    
 H   -4.393700       3.023800     -0.1456000    
 H    4.630400       2.974700     -0.2246000    
 H    5.347400       1.605100      -1.119200    
 H    6.219300       2.332400      0.2507000    


%chk=000178471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178471

0 1
Br 1.019611 -0.315132 -3.695466
S 3.460510 1.584404 1.069486
N 1.812319 -0.575559 0.342906
N 2.358590 0.786991 -1.392562
N -1.501912 -0.432730 1.618016
N -3.181888 0.535817 -0.462817
C 1.175081 -1.123089 -0.807750
C 0.289036 -2.302257 -0.798473
C -0.811267 -2.389744 0.271129
C 2.500554 0.559179 -0.069713
C 1.558301 -0.248439 -1.841989
C -1.612027 -1.107533 0.430732
C 1.831558 -1.147833 1.698741
C 0.387527 -3.257162 -1.767413
C -2.451684 -0.604450 -0.599140
C -3.075311 1.212729 0.728906
C -2.229321 0.714841 1.753715
C -3.878205 2.480974 0.879530
C 4.350088 2.638953 -0.214297
H -0.388415 -2.631694 1.262272
H -1.483046 -3.224967 -0.001016
H 0.889285 -0.924627 2.229598
H 1.978969 -2.239173 1.639338
H 2.680251 -0.713920 2.253414
H -0.330512 -4.083542 -1.825039
H 1.176305 -3.229235 -2.524755
H -2.534083 -1.126381 -1.558848
H -2.129336 1.246649 2.705982
H -4.951279 2.278101 0.714700
H -3.749440 2.929160 1.878806
H -3.570654 3.219826 0.117877
H 3.602524 3.137490 -0.845438
H 4.997725 2.000020 -0.830374
H 4.939546 3.367633 0.362643


