%chk=000104127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104127

0 1
 Br   1.262600       4.424200     -0.4623000    
 Cl   5.636000      0.4300000       2.287900    
 O  -0.5112000      -2.229200     -0.3593000    
 O   -3.664800       2.031600      0.3062000    
 N    1.627900     -0.7703000     -0.6823000    
 N   -1.712700       3.694600      2.3499999E-02
 C  -0.6370000      0.1358000     -0.2676000    
 C   -1.460100       1.250400     -9.3500003E-02
 C   0.7334000      0.3087000     -0.4962000    
 C   -2.648900      -1.396300      2.8899999E-02
 C   -3.471900     -0.2817000      0.2030000    
 C   -1.201300      -1.228300     -0.2127000    
 C   -2.907700       1.082300      0.1482000    
 C  -0.9128000       2.537800     -0.1480000    
 C    1.274600       1.593500     -0.5498000    
 C   0.4532000       2.705700     -0.3760000    
 C   -3.196200      -2.683800      8.2800001E-02
 C   -4.842500     -0.4545000      0.4310000    
 C    2.994600     -0.9322000     -0.3947000    
 C   -4.562500      -2.851600      0.3104000    
 C   -5.383900      -1.739400      0.4841000    
 C    3.572300     -0.2500000      0.6790000    
 C    3.781800      -1.775900      -1.182400    
 C    4.928300     -0.4107000      0.9633000    
 C    5.137800      -1.936600     -0.8981000    
 C    5.711100      -1.253900      0.1747000    
 H    2.330800       1.746700     -0.7586000    
 H    1.212500      -1.567900      -1.154100    
 H   -2.579400      -3.568700     -4.9300000E-02
 H   -5.506500      0.3944000      0.5698000    
 H   -4.986500      -3.850700      0.3522000    
 H   -6.447200      -1.872800      0.6610000    
 H   -1.280200       4.608100     -2.3100000E-02
 H   -2.705900       3.625400      0.1905000    
 H    2.970200      0.3903000       1.319400    
 H    3.347600      -2.312900      -2.022100    
 H    5.747300      -2.593000      -1.512300    
 H    6.769100      -1.389000      0.3845000    


%chk=000104127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104127

0 1
Br 1.260461 4.503096 -0.342907
Cl 6.120170 0.849426 1.765972
O -0.471349 -2.305969 -0.348855
O -3.763426 2.107517 0.253079
N 1.608095 -0.826995 -0.382441
N -1.752231 3.697336 0.086961
C -0.644926 0.104326 -0.154727
C -1.506562 1.258852 -0.030184
C 0.780633 0.281156 -0.268471
C -2.675625 -1.414413 -0.012010
C -3.521946 -0.278063 0.134515
C -1.214215 -1.249729 -0.177150
C -2.961491 1.096167 0.123387
C -0.957850 2.592756 -0.045538
C 1.307708 1.615840 -0.333625
C 0.469152 2.711279 -0.225437
C -3.238286 -2.717417 -0.004224
C -4.920591 -0.459030 0.288195
C 3.016452 -0.903567 -0.279508
C -4.626196 -2.887731 0.151125
C -5.470406 -1.754418 0.297813
C 3.774526 -0.062565 0.584513
C 3.682487 -1.925775 -1.013375
C 5.166042 -0.242789 0.656128
C 5.077311 -2.086604 -0.901951
C 5.847301 -1.236253 -0.072244
H 2.373904 1.766475 -0.511699
H 1.044733 -1.715595 -0.480155
H -2.563776 -3.570785 -0.120636
H -5.546019 0.431968 0.396918
H -5.057156 -3.894677 0.158690
H -6.550696 -1.889988 0.417818
H -1.342937 4.630547 0.064026
H -2.767976 3.509553 0.196243
H 3.286499 0.674974 1.226354
H 3.098990 -2.577432 -1.672172
H 5.579412 -2.873532 -1.474297
H 6.931685 -1.347841 0.007868


