%chk=000028756.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028756

0 1
 Cl  -8.473000      -1.462100     -0.7783000    
 O    1.335200       2.835600       1.508900    
 O    4.396100      -1.676500       1.802400    
 O    4.394900      0.5953000      -2.413300    
 O    5.485300      -1.301500     -0.7163000    
 N   -2.910700      0.3753000      0.2208000    
 N  -0.1994000       1.282900      0.6790000    
 C   -1.823900     -0.5859000      0.4268000    
 C   -2.591700       1.804300      0.2851000    
 C  -0.4833000      1.3700000E-02  2.0000001E-03
 C   -1.355100       2.041200       1.148700    
 C   -4.214500     -5.5100001E-02 -1.2500000E-02
 C    1.083700       1.772900      0.9421000    
 C    2.236900      0.9681000      0.5080000    
 C   -4.695900      -1.272400      0.5243000    
 C   -5.112100      0.7067000     -0.7973000    
 C    2.778100       1.162500     -0.7596000    
 C    2.779400      1.6799999E-02   1.367500    
 C   -6.001400      -1.703700      0.2897000    
 C   -6.417900      0.2755000      -1.032000    
 C    3.872100     -0.7463000      0.9561000    
 C    3.870700      0.3993000      -1.171200    
 C   -6.862600     -0.9297000     -0.4884000    
 C    4.417900     -0.5551000     -0.3133000    
 C    3.854300      -2.994000       1.733000    
 C    3.854400     -0.1880000      -3.475600    
 C    6.782300     -0.7796000     -0.4368000    
 H   -1.989000      -1.495700     -0.1630000    
 H   -1.788000     -0.8693000       1.485800    
 H   -3.423700       2.370800      0.7207000    
 H   -2.416700       2.181600     -0.7298000    
 H   0.3136000     -0.7108000      0.1882000    
 H  -0.4883000      0.2284000      -1.073700    
 H   -1.112700       3.109100       1.176100    
 H   -1.543600       1.723500       2.181700    
 H   -4.056200      -1.894800       1.146100    
 H   -4.795200       1.645000      -1.247000    
 H    2.353600       1.905900      -1.430000    
 H    2.355500     -0.1342000       2.357400    
 H   -6.335300      -2.643700      0.7216000    
 H   -7.077000      0.8872000      -1.642500    
 H    2.788200      -2.983600       1.980900    
 H    4.377200      -3.618400       2.462500    
 H    4.004200      -3.420400      0.7360000    
 H    4.377600      7.8299999E-02  -4.398100    
 H    2.788200      2.3900000E-02  -3.603900    
 H    4.005200      -1.254900      -3.283200    
 H    6.926500      0.1829000     -0.9376000    
 H    7.524900      -1.486000     -0.8176000    
 H    6.928100     -0.6669000      0.6421000    


%chk=000028756-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028756

0 1
Cl -9.034368 -0.768265 -0.981233
O 0.992590 1.910632 2.350424
O 5.166635 -1.068526 1.996044
O 3.628054 -0.057553 -2.610255
O 5.668837 -1.127033 -0.848825
N -3.192692 0.496284 0.099989
N -0.389103 1.071912 0.693595
C -2.168842 -0.564638 0.104697
C -2.724769 1.872606 0.357433
C -0.789343 0.017367 -0.266121
C -1.493295 1.874848 1.278334
C -4.541266 0.207457 -0.148872
C 0.858669 1.192374 1.304939
C 2.046726 0.490754 0.698728
C -5.024850 -1.138985 -0.119376
C -5.481724 1.245260 -0.442041
C 2.261625 0.417175 -0.698664
C 3.024841 -0.024253 1.583481
C -6.379206 -1.433082 -0.374836
C -6.838058 0.951453 -0.688184
C 4.200009 -0.606904 1.074847
C 3.453510 -0.137713 -1.218157
C -7.275764 -0.385606 -0.655425
C 4.449608 -0.633560 -0.329634
C 5.501188 -2.508435 1.894865
C 4.048146 -1.286515 -3.320584
C 6.844415 -0.276123 -0.524136
H -2.426763 -1.328115 -0.654099
H -2.106708 -1.078690 1.089134
H -3.522690 2.438504 0.872333
H -2.494129 2.412509 -0.587273
H -0.039918 -0.790346 -0.256359
H -0.839575 0.419271 -1.298296
H -1.133741 2.906353 1.435694
H -1.761955 1.477547 2.277435
H -4.354273 -1.964961 0.134218
H -5.156918 2.287446 -0.509473
H 1.548115 0.834729 -1.414936
H 2.882886 0.046201 2.665230
H -6.731215 -2.468482 -0.340517
H -7.540653 1.758732 -0.916356
H 4.609604 -3.121046 2.127471
H 6.279483 -2.678648 2.653976
H 5.879618 -2.758369 0.887724
H 4.133297 -0.987071 -4.376114
H 3.273021 -2.070209 -3.214229
H 5.013576 -1.653682 -2.937131
H 6.721500 0.723125 -0.979799
H 7.709671 -0.792103 -0.967143
H 6.963092 -0.185526 0.569975


