%chk=000070587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070587

0 1
 Cl  -6.072000      -2.860600     -0.5094000    
 O   -1.908900       3.162100      -1.232400    
 N    1.523700     -0.1492000     -0.7098000    
 N   -1.629600      0.7376000       1.032200    
 N   -1.656800       3.519800       1.026500    
 C  -0.8151000       1.474400      6.5700002E-02
 C   0.5962000       1.722900      0.6186000    
 C  -0.7189000      0.7303000      -1.274700    
 C    1.460800      0.4577000      0.6264000    
 C   0.1854000     -0.5041000      -1.200000    
 C   -1.518000       2.788400     -0.1293000    
 C    2.393300      -1.325400     -0.6976000    
 C   -2.666900     -0.1024000      0.6727000    
 C    3.799300     -0.9792000     -0.2852000    
 C   -2.645800      -1.469000       1.015300    
 C   -3.776700      0.3826000     -4.7600001E-02
 C    4.726900     -0.6205000      -1.253300    
 C    4.148300      -1.023900       1.057300    
 C   -3.692500      -2.316500      0.6522000    
 C   -4.823400     -0.4650000     -0.4104000    
 C    6.029600     -0.3002000     -0.8713000    
 C    5.450900     -0.7036000       1.439500    
 C   -4.781300      -1.814600     -6.0600001E-02
 C    6.391600     -0.3418000      0.4751000    
 H   0.5618000       2.117600       1.642200    
 H    1.098100       2.490800      1.2700000E-02
 H  -0.2801000       1.405000      -2.025700    
 H   -1.689700      0.4481000      -1.694400    
 H    2.440900      0.8062000      0.9619000    
 H    1.078500     -0.2534000       1.369900    
 H  -0.2661000      -1.280100     -0.5727000    
 H   0.2663000     -0.9205000      -2.211900    
 H   -1.148400      0.4653000       1.885300    
 H    2.427800      -1.775000      -1.699200    
 H    1.997700      -2.108900     -3.5900000E-02
 H   -2.106900       4.429000       1.014700    
 H   -1.358200       3.175200       1.933000    
 H   -1.803800      -1.876900       1.570600    
 H   -3.849600       1.431400     -0.3207000    
 H    4.455100     -0.5829000      -2.304600    
 H    3.431900      -1.319400       1.818700    
 H   -3.645900      -3.366100      0.9312000    
 H   -5.667200     -5.9500001E-02 -0.9628000    
 H    6.762100     -1.8100001E-02  -1.622100    
 H    5.734000     -0.7393000       2.487500    
 H    7.406100     -9.3099996E-02  0.7725000    


%chk=000070587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070587

0 1
Cl -6.912121 -2.235362 -0.020578
O -1.172860 3.389178 -1.362727
N 1.681783 -0.265866 -0.575491
N -1.587356 0.528182 0.915956
N -2.278758 3.168026 0.672841
C -0.787774 1.323502 -0.051636
C 0.593695 1.623747 0.617482
C -0.518023 0.584483 -1.395010
C 1.476477 0.367381 0.742393
C 0.391193 -0.641944 -1.201880
C -1.445977 2.713977 -0.326209
C 2.639030 -1.396896 -0.520606
C -2.816117 -0.111380 0.642884
C 4.065165 -0.958512 -0.201046
C -3.232581 -1.184578 1.484948
C -3.689609 0.302311 -0.405247
C 4.609517 0.206826 -0.799000
C 4.881540 -1.730131 0.661379
C -4.472133 -1.825553 1.293399
C -4.928078 -0.344031 -0.605202
C 5.944203 0.588694 -0.541561
C 6.220348 -1.352708 0.917912
C -5.308404 -1.399745 0.242840
C 6.756251 -0.191241 0.316430
H 0.434374 2.077686 1.614659
H 1.117352 2.362367 -0.013573
H -0.043800 1.306798 -2.080699
H -1.467157 0.261896 -1.857635
H 2.458960 0.657273 1.155188
H 1.030176 -0.362886 1.475904
H -0.145897 -1.417738 -0.594251
H 0.602209 -1.093787 -2.188879
H -1.031245 0.081345 1.649714
H 2.621478 -1.881142 -1.517804
H 2.320184 -2.178601 0.216721
H -2.709015 4.087389 0.584195
H -2.504647 2.552891 1.455338
H -2.578030 -1.521382 2.298786
H -3.425587 1.136467 -1.060357
H 3.967285 0.807923 -1.452607
H 4.469160 -2.629877 1.135851
H -4.777104 -2.647506 1.947713
H -5.588931 -0.019281 -1.414390
H 6.352814 1.491718 -1.009580
H 6.840120 -1.959568 1.587908
H 7.792392 0.104855 0.515625


