%chk=000038557.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038557

0 1
 Br  -3.107500     -0.8244000      -2.508800    
 Cl   5.305000      0.5269000     -0.9789000    
 N   0.2775000      -1.170100      0.2881000    
 C    1.473600      -1.825700     -0.2279000    
 C    2.426700     -0.7935000     -0.8303000    
 C    2.852100      0.2409000      0.2188000    
 C  -0.4369000     -0.4807000     -0.7879000    
 C  -0.6021000      -2.141700      0.9402000    
 C    3.826400       1.294300     -0.3251000    
 C   -1.642700      0.2609000     -0.2751000    
 C   0.1198000      -2.869700       2.061500    
 C    4.226600       2.284800      0.7620000    
 C   -2.866600      0.1970000     -0.9291000    
 C   -1.492800       1.017400      0.8810000    
 C   -3.958000      0.9005000     -0.4196000    
 C   -2.584300       1.720800       1.390600    
 C   -3.816800       1.662400      0.7403000    
 H    1.226300      -2.581500     -0.9846000    
 H    2.036900      -2.331700      0.5629000    
 H    2.031400     -0.3115000      -1.729500    
 H    3.307500      -1.350500      -1.172700    
 H    1.973900      0.7689000      0.6081000    
 H    3.309500     -0.2769000       1.072300    
 H  -0.6683000      -1.203500      -1.573800    
 H   0.1733000      0.3013000      -1.251800    
 H   -1.468700      -1.656800       1.400900    
 H  -0.9902000      -2.878300      0.2245000    
 H    3.359900       1.835300      -1.155300    
 H   0.8144000      -3.629800       1.691100    
 H   0.6596000      -2.176800       2.716100    
 H  -0.6121000      -3.398700       2.682900    
 H    4.904600       3.049200      0.3670000    
 H    4.728200       1.785100       1.598100    
 H    3.344500       2.798800       1.158700    
 H  -0.5403000       1.094400       1.397700    
 H   -4.926300      0.8673000     -0.9124000    
 H   -2.473600       2.317200       2.291500    
 H   -4.666200       2.211100       1.136700    


%chk=000038557-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038557

0 1
Br -3.338529 -0.396805 -2.826849
Cl 5.272900 0.869068 -1.080896
N 0.206107 -1.422753 0.111660
C 1.481649 -1.868361 -0.516171
C 2.390269 -0.699924 -0.956699
C 2.874693 0.152102 0.233020
C -0.779095 -0.963100 -0.894883
C -0.385990 -2.439073 1.030035
C 3.663646 1.404851 -0.153150
C -1.780250 0.058863 -0.357691
C 0.374340 -2.574554 2.361818
C 4.089619 2.275004 1.029731
C -2.947198 0.427092 -1.070267
C -1.555941 0.713840 0.881484
C -3.861418 1.387978 -0.592800
C -2.453517 1.679435 1.383458
C -3.611637 2.017653 0.647810
H 1.287290 -2.537324 -1.391114
H 2.030721 -2.475030 0.226777
H 1.857287 -0.051849 -1.682125
H 3.263821 -1.114526 -1.495375
H 1.984960 0.481656 0.809490
H 3.488478 -0.464943 0.919004
H -1.340280 -1.820069 -1.340586
H -0.232737 -0.498839 -1.738420
H -1.422579 -2.121012 1.246205
H -0.457605 -3.436912 0.528701
H 3.135933 1.991553 -0.924520
H 1.412416 -2.924359 2.218538
H 0.411963 -1.602051 2.884287
H -0.134229 -3.304614 3.018078
H 4.688787 3.139131 0.698514
H 4.687728 1.690510 1.750364
H 3.189178 2.653762 1.552071
H -0.647212 0.435333 1.426347
H -4.749925 1.641514 -1.178215
H -2.251031 2.165737 2.343973
H -4.318313 2.763715 1.026595


