%chk=000063521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063521

0 1
 Br  -6.876100      0.4571000      0.6879000    
 Br  -6.148800      -2.847300     -4.0399998E-02
 Cl   3.199700      -1.092900       2.704800    
 S   0.3322000       3.456100     -0.4995000    
 O    1.842600      -1.426400      4.2399999E-02
 O   -1.954900       2.560600      0.3503000    
 N  -0.4091000      0.8980000     -0.2784000    
 N   -1.187200      -1.325000     -0.6149000    
 N    1.940200       1.531700      0.1277000    
 C  -0.2327000     -0.4460000     -0.6158000    
 C   -2.788500      0.4168000     -2.2000000E-03
 C   -2.484900     -0.9124000     -0.2967000    
 C   -1.690500       1.405900      2.3800001E-02
 C    1.122900     -0.9455000      -1.072500    
 C   -4.102700      0.8021000      0.2883000    
 C   0.6956000       1.811900     -0.1781000    
 C   -3.516300      -1.858700     -0.2982000    
 C   -5.120800     -0.1503000      0.2828000    
 C   -4.828200      -1.480300     -9.1000004E-03
 C    3.213300      -1.329100     -5.4000001E-03
 C    3.957000      -1.172100       1.156900    
 C    3.835300      -1.392000      -1.246000    
 C    1.976200       3.847100     -0.2072000    
 C    2.674900       2.701200      0.1102000    
 C    5.346300      -1.076300       1.077700    
 C    5.224600      -1.296100      -1.325200    
 C    5.980100      -1.138200     -0.1633000    
 H    1.630200     -0.1478000      -1.625800    
 H   0.9618000      -1.780700      -1.766300    
 H   -4.330300       1.839900      0.5199000    
 H   -3.280900      -2.895500     -0.5320000    
 H    3.291800      -1.549200      -2.172400    
 H    2.341400       4.861500     -0.2797000    
 H    3.731200       2.662600      0.3397000    
 H    5.949200     -0.9533000       1.973900    
 H    5.719400      -1.352300      -2.290500    
 H    7.061900      -1.065300     -0.2250000    


%chk=000063521-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063521

0 1
Br -7.042619 0.267869 0.731341
Br -6.284168 -2.919654 -0.455929
Cl 3.363188 -0.078705 2.747611
S 1.022195 2.837972 1.242663
O 1.956139 -0.651239 0.204553
O -1.990621 2.561163 0.625106
N -0.500468 0.930268 -0.214636
N -1.244086 -1.306538 -0.746182
N 1.322346 2.099498 -1.300842
C -0.282669 -0.408856 -0.638366
C -2.873668 0.373901 0.060574
C -2.558265 -0.930649 -0.423861
C -1.815681 1.389271 0.200792
C 1.119345 -0.849105 -0.995109
C -4.207591 0.704789 0.397839
C 0.563067 1.881079 -0.237401
C -3.594253 -1.889096 -0.565352
C -5.228626 -0.248096 0.252961
C -4.916662 -1.553297 -0.233038
C 3.320851 -0.934133 0.080177
C 4.128301 -0.712370 1.226776
C 3.934621 -1.433282 -1.096143
C 2.344890 3.535512 0.264272
C 2.330263 3.027658 -1.025060
C 5.508063 -0.974600 1.209067
C 5.322305 -1.697365 -1.117042
C 6.113104 -1.470253 0.029337
H 1.518383 -0.248817 -1.833919
H 1.063736 -1.917980 -1.261872
H -4.420445 1.712034 0.767466
H -3.337119 -2.885324 -0.932503
H 3.337405 -1.620816 -1.992957
H 3.011512 4.278497 0.696299
H 3.024664 3.303931 -1.818178
H 6.100644 -0.793601 2.110842
H 5.780095 -2.083771 -2.033651
H 7.187723 -1.676097 0.016062


