%chk=000040915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040915

0 1
 Cl -3.0000001E-04  -2.006000     -3.0000001E-04
 O    4.800000      -1.424800     -0.5275000    
 O   -4.799300      -1.425400      0.5276000    
 O    4.021200       1.499000      0.5319000    
 O   -4.022000       1.499300     -0.5301000    
 O    5.439300     -0.7673000       1.608000    
 O   -5.440900     -0.7664000      -1.606600    
 N    2.419100     -0.2370000      0.3078000    
 N   -2.419400     -0.2367000     -0.3091000    
 N   9.9999997E-05   5.109200      8.9999998E-04
 C    1.198100      0.4272000      0.1524000    
 C   -1.198300      0.4275000     -0.1544000    
 C  -9.9999997E-05 -0.2701000     -1.2000001E-03
 C    1.198200       1.822000      0.1529000    
 C   -1.198200       1.822400     -0.1538000    
 C    0.000000       2.519700     -9.9999997E-05
 C    3.675200      0.3313000      0.4682000    
 C   -3.675700      0.3316000     -0.4677000    
 C    4.755700     -0.6986000      0.6055000    
 C   -4.756200     -0.6984000     -0.6048000    
 C   9.9999997E-05   3.948700      5.0000002E-04
 C    5.809700      -2.437500     -0.5591000    
 C   -5.808800      -2.438300      0.5594000    
 C    5.737200      -3.164800      -1.884800    
 C   -5.734900      -3.166700       1.884400    
 H    2.090100       2.422900      0.2656000    
 H   -2.090000       2.423400     -0.2662000    
 H    2.366000      -1.253500      0.2969000    
 H   -2.366400      -1.253100     -0.2988000    
 H    5.643500      -3.145000      0.2611000    
 H    6.796100      -1.974200     -0.4441000    
 H   -5.643300      -3.145100     -0.2615000    
 H   -6.795300      -1.975100      0.4458000    
 H    4.750000      -3.618400      -2.021800    
 H    5.884300      -2.467000      -2.715600    
 H    6.497400      -3.948800      -1.943000    
 H   -4.747500      -3.620400       2.020100    
 H   -5.881300      -2.469700       2.716100    
 H   -6.494900      -3.950900       1.942700    


%chk=000040915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040915

0 1
Cl 0.000269 -1.532239 -0.000172
O 4.169570 -1.691615 -0.138305
O -4.168992 -1.692374 0.137971
O 4.103914 1.903982 -0.130783
O -4.103980 1.903234 0.131058
O 6.022825 -0.264095 -0.193716
O -6.022509 -0.265197 0.193463
N 2.436110 0.225875 -0.078316
N -2.435877 0.225431 0.078329
N 0.000329 5.726263 0.000615
C 1.246663 0.983922 -0.039732
C -1.246563 0.983695 0.039921
C 0.000110 0.304689 0.000025
C 1.237289 2.403056 -0.039126
C -1.237442 2.402830 0.039617
C -0.000137 3.089208 0.000319
C 3.744737 0.698888 -0.120099
C -3.744588 0.698206 0.120159
C 4.794265 -0.439696 -0.154779
C -4.793915 -0.440572 0.154569
C -0.000277 4.531394 0.000472
C 5.070212 -2.893303 -0.171799
C -5.069423 -2.894227 0.171208
C 4.171686 -4.123679 -0.166295
C -4.170680 -4.124444 0.165630
H 2.184976 2.942945 -0.069216
H -2.185223 2.942547 0.069819
H 2.347220 -0.799049 -0.076756
H -2.346806 -0.799477 0.076567
H 5.731371 -2.839934 0.711205
H 5.692823 -2.819377 -1.080981
H -5.730503 -2.840853 -0.711855
H -5.692140 -2.820535 1.080337
H 3.549066 -4.157645 0.743886
H 3.510022 -4.136788 -1.049025
H 4.796354 -5.034728 -0.190481
H -3.547955 -4.158174 -0.744487
H -3.509111 -4.137559 1.048431
H -4.795190 -5.035605 0.189621


