%chk=000127069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127069

0 1
 I    8.599300      -3.503400     -4.8000000E-02
 Cl  0.2678000       5.253600     -8.0000004E-03
 Cl  -4.313100      -4.294900      4.1000000E-03
 Cl  -6.675600      -2.085300       0.000000    
 O   -1.011000     -0.4848000      7.9999998E-04
 O   -3.095900       1.464000     -6.0999999E-03
 O    3.562400       1.653900      9.3999999E-03
 N    1.620100      0.3261000      5.7000001E-03
 C    5.294300     -0.5281000      1.9600000E-02
 C    3.782600     -0.7452000      1.5200000E-02
 C    6.048500      -1.858700     -1.3400000E-02
 C   0.5844000       1.263900      9.9999997E-05
 C  -0.7510000      0.8623000     -1.3000000E-03
 C   -1.769400       1.814200     -4.8000002E-03
 C    3.003000      0.5625000      9.6000005E-03
 C   -2.337500     -0.8350000      9.9999997E-05
 C   -3.355800      0.1170000     -2.7999999E-03
 C   0.8965000       2.623900     -2.0000001E-03
 C    7.559800      -1.636900      3.2000002E-02
 C   -1.458900       3.173800     -7.4999998E-03
 C  -0.1234000       3.577100     -6.0000001E-03
 C   -2.648300      -2.194400      2.4000001E-03
 C   -4.691200     -0.2843000     -2.4000001E-03
 C   -3.983900      -2.597400      2.7000001E-03
 C   -5.003600      -1.643900      5.0000002E-04
 H    5.580800      3.8600001E-02  0.9143000    
 H    5.584100      8.0200002E-02 -0.8463000    
 H    3.484400      -1.318200      0.9014000    
 H    3.489900      -1.319000     -0.8724000    
 H    5.775300      -2.407700     -0.9233000    
 H    5.736100      -2.476100      0.8382000    
 H    1.319200     -0.6464000      7.3000002E-03
 H    1.906300       3.008400     -1.0000000E-03
 H    7.834500      -1.106700      0.9507000    
 H    7.873300      -1.011800     -0.8116000    
 H   -2.258500       3.910700     -1.0400000E-02
 H   -1.846400      -2.929100      4.1000000E-03
 H   -5.478100      0.4663000     -4.6999999E-03


%chk=000127069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127069

0 1
I 8.689419 -3.612668 0.012816
Cl 0.176716 5.481425 0.007781
Cl -4.238895 -4.435382 -0.008876
Cl -6.706610 -2.251589 -0.008529
O -0.954023 -0.431634 0.000210
O -3.148343 1.500512 0.000299
O 3.566068 1.675732 0.005276
N 1.602999 0.393708 0.003882
C 5.287446 -0.574063 0.010739
C 3.760420 -0.783125 0.005211
C 6.047916 -1.924235 0.006956
C 0.617817 1.407668 0.003645
C -0.733759 0.979611 0.001805
C -1.787360 1.911940 0.001971
C 2.995052 0.548288 0.004791
C -2.312281 -0.838213 -0.001905
C -3.371654 0.103073 -0.001825
C 0.898416 2.801082 0.005457
C 7.562911 -1.694251 0.017660
C -1.529952 3.292246 0.003821
C -0.181937 3.699166 0.005529
C -2.584677 -2.213050 -0.004079
C -4.702942 -0.338273 -0.003871
C -3.924371 -2.657051 -0.006116
C -4.980870 -1.721629 -0.005998
H 5.568182 0.023414 0.898143
H 5.573318 0.031467 -0.869401
H 3.454802 -1.376526 0.891567
H 3.461000 -1.373659 -0.885193
H 5.768373 -2.513339 -0.887713
H 5.757528 -2.524648 0.890622
H 1.234372 -0.562233 0.003058
H 1.934552 3.139366 0.006296
H 7.910008 -1.177625 0.925898
H 7.921180 -1.166282 -0.879663
H -2.358832 4.002759 0.003887
H -1.759936 -2.929795 -0.004185
H -5.511054 0.397014 -0.003765


