%chk=000002819.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002819

0 1
 Cl   4.123700      -4.183200      0.1700000    
 O   -5.030800     -0.8067000      0.7044000    
 N   -4.173300      -1.499300     -0.1118000    
 N   -1.700100     -3.9500002E-02  0.1573000    
 N   0.4336000     -0.7175000     -0.3704000    
 N    2.496900       1.487200     -0.3061000    
 C   -3.646700     -0.5976000      -1.210700    
 C   -3.003000      -2.037700      0.6875000    
 C   -2.778100      0.5247000     -0.6546000    
 C   -2.134000     -0.9162000       1.244600    
 C   -4.931500      -2.644600     -0.7235000    
 C  -0.3960000      0.3266000     -7.4000000E-03
 C  -1.9500000E-02   1.623300      0.1608000    
 C    1.373200       2.109800     -0.1851000    
 C    1.813100     -0.8994000     -0.2293000    
 C  -0.9655000       2.651000      0.6155000    
 C    2.746300      0.1305000     -0.1234000    
 C    1.485600       3.591600     -0.4197000    
 C    2.272200      -2.235000     -0.1363000    
 C  -0.7178000       3.960700      0.4991000    
 C   0.4969000       4.430200     -9.8399997E-02
 C    4.103000     -0.1978000      8.3499998E-02
 C    3.615500      -2.543600      6.8800002E-02
 C    4.536400      -1.517600      0.1852000    
 H   -4.522000     -0.1987000      -1.735000    
 H   -3.073300      -1.240600      -1.888900    
 H   -2.431500      -2.678100      5.2999998E-03
 H   -3.427800      -2.646100       1.493200    
 H   -2.385700       1.109300      -1.495600    
 H   -3.396400       1.193400     -4.4799998E-02
 H   -2.693700     -0.3242000       1.978500    
 H   -1.277900      -1.352200       1.773400    
 H   -4.251800      -3.199400      -1.374900    
 H   -5.297700      -3.271000      9.4400004E-02
 H   -5.766700      -2.222000      -1.288500    
 H  -8.3400004E-02  -1.569700     -0.5687000    
 H   -1.888800       2.354400       1.100600    
 H    2.414800       3.969600     -0.8345000    
 H    1.550500      -3.048500     -0.2149000    
 H   -1.430700       4.695600      0.8565000    
 H   0.6046000       5.497300     -0.2593000    
 H    4.844600      0.5970000      0.1534000    
 H    5.591700      -1.722700      0.3420000    


%chk=000002819-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002819

0 1
Cl 4.444976 -3.864028 1.437271
O -4.941864 -1.135525 0.912542
N -4.188537 -1.475674 -0.252623
N -1.708117 -0.132568 0.482130
N 0.440148 -0.866823 -0.073555
N 2.337949 1.305765 -0.966138
C -3.715623 -0.187456 -0.962357
C -2.935959 -2.284456 0.163950
C -2.874332 0.654644 0.010841
C -2.112242 -1.409710 1.119456
C -5.045752 -2.302058 -1.192373
C -0.377400 0.209523 0.228354
C 0.068201 1.560409 0.208235
C 1.233208 1.989220 -0.612378
C 1.873314 -0.946320 0.108188
C -0.733627 2.578038 0.859281
C 2.728474 0.078133 -0.403722
C 1.199033 3.381691 -1.045582
C 2.390884 -2.127778 0.678782
C -0.595006 3.923366 0.551599
C 0.342023 4.311908 -0.476485
C 4.132331 -0.168294 -0.341220
C 3.786945 -2.315273 0.724557
C 4.670912 -1.348346 0.212661
H -4.634680 0.356899 -1.232218
H -3.144499 -0.454588 -1.871901
H -2.371740 -2.582631 -0.741868
H -3.319530 -3.173839 0.688788
H -2.527279 1.567069 -0.495804
H -3.520693 0.930379 0.863581
H -2.778467 -1.177188 1.972831
H -1.226006 -1.950828 1.486325
H -4.491335 -2.585854 -2.106208
H -5.369360 -3.192589 -0.634036
H -5.928669 -1.695261 -1.440453
H -0.010774 -1.698847 -0.461769
H -1.457302 2.259057 1.619575
H 1.968787 3.675603 -1.766253
H 1.715294 -2.896071 1.069611
H -1.190414 4.680784 1.071023
H 0.405759 5.364194 -0.778024
H 4.787948 0.601089 -0.759280
H 5.751920 -1.512466 0.236865


