%chk=000044422.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044422

0 1
 Cl  -6.247300       1.226400      0.6243000    
 O    1.259300      -2.646400     -0.6598000    
 N    1.715200     -0.3666000     -0.5175000    
 N   -1.538000      -2.107100     -0.2600000    
 N    5.273500     -0.9767000      0.4273000    
 C   -1.082800      6.7699999E-02 -0.1267000    
 C  -0.5297000      -1.184600     -0.3063000    
 C  -0.1738000       1.207000     -0.1407000    
 C    1.212500      0.9762000     -0.3357000    
 C   -2.499000     -0.1102000      3.5700001E-02
 C    3.149100     -0.5650000     -0.7166000    
 C   0.8650000      -1.490800     -0.5089000    
 C   -2.745100      -1.485900     -5.3500000E-02
 C    3.844600     -0.7610000      0.6273000    
 C  -0.6333000       2.519800      3.3399999E-02
 C    2.085900       2.079900     -0.3483000    
 C   -3.614400      0.7322000      0.2497000    
 C   -4.022900      -2.048700      5.8300000E-02
 C   0.2520000       3.597400      1.7100001E-02
 C    1.608800       3.378500     -0.1732000    
 C   -4.899200      0.1842000      0.3637000    
 C   -5.098900      -1.187500      0.2690000    
 C    5.874100      0.1634000     -0.2668000    
 C    5.944200      -1.202400       1.708500    
 H    3.284300      -1.480800      -1.308400    
 H    3.541700      0.2288000      -1.353700    
 H   -1.414200      -3.105000     -0.3630000    
 H    3.663200      0.1005000       1.283200    
 H    3.407400      -1.633900       1.129400    
 H   -1.679900       2.747600      0.1861000    
 H    3.159200       1.982000     -0.4687000    
 H   -3.495700       1.807100      0.3285000    
 H   -4.174900      -3.120600     -1.6300000E-02
 H  -0.1214000       4.608000      0.1551000    
 H    2.299400       4.216600     -0.1806000    
 H   -6.097400      -1.609400      0.3578000    
 H    6.967900      7.7299997E-02 -0.2629000    
 H    5.618400       1.121800      0.1994000    
 H    5.603200      0.1897000      -1.326300    
 H    5.515200      -2.071500       2.219800    
 H    5.865100     -0.3358000       2.375100    
 H    7.006100      -1.424300       1.554400    


%chk=000044422-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044422

0 1
Cl -6.393791 1.270408 0.526857
O 1.307038 -2.677470 -0.487898
N 1.666209 -0.334971 -0.502649
N -1.547484 -2.163128 -0.143379
N 5.341844 -0.818065 0.388265
C -1.123460 0.096280 -0.131802
C -0.560921 -1.189097 -0.235128
C -0.239222 1.242736 -0.196235
C 1.173938 0.993418 -0.372603
C -2.557898 -0.102624 0.033116
C 3.112612 -0.603462 -0.712470
C 0.843822 -1.488410 -0.411718
C -2.782580 -1.533136 0.019882
C 3.893102 -0.649666 0.625684
C -0.687256 2.589057 -0.088177
C 2.068431 2.100224 -0.416201
C -3.675594 0.760939 0.189835
C -4.068753 -2.098467 0.156172
C 0.206741 3.669415 -0.145303
C 1.591662 3.418105 -0.307484
C -4.942580 0.177109 0.323902
C -5.162071 -1.225635 0.310539
C 6.024447 0.440959 0.031363
C 6.033457 -1.537052 1.477532
H 3.194515 -1.592505 -1.188710
H 3.526565 0.147403 -1.404913
H -1.351658 -3.162165 -0.196617
H 3.666671 0.262274 1.233790
H 3.523487 -1.521143 1.194717
H -1.754352 2.783882 0.043155
H 3.142935 1.939645 -0.527177
H -3.575731 1.847653 0.207010
H -4.223879 -3.181857 0.143837
H -0.163195 4.696125 -0.060704
H 2.301819 4.251139 -0.344487
H -6.176769 -1.618196 0.419682
H 7.078066 0.231565 -0.225349
H 6.012066 1.195836 0.859259
H 5.554405 0.899802 -0.856757
H 5.544494 -2.511949 1.647465
H 6.044435 -0.978066 2.447421
H 7.081833 -1.729007 1.185475


