%chk=000046018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046018

1 1
 Cl   4.601300      -2.522400       2.849500    
 Cl   5.828600       2.107500      -2.308800    
 O    1.024300     -0.4214000      0.6268000    
 O    1.433400      0.3128000      -1.529200    
 N   -3.172100       2.052700      0.5656000    
 N    3.236500     -0.1212000     -0.1255000    
 C   -2.357400      0.7824000      0.3098000    
 C   -1.035100      0.8069000      0.6028000    
 C   -3.042600     -0.2733000     -0.1972000    
 C   -2.318200      -1.440500     -0.4389000    
 C   -4.621800       1.794900      0.1645000    
 C   -2.575700       3.192200     -0.2560000    
 C   -3.151400       2.465800       2.035900    
 C   -3.003800      -2.641600     -0.9969000    
 C  -0.3107000     -0.3604000      0.3612000    
 C  -0.9523000      -1.484100     -0.1596000    
 C  -0.3404000       2.008100       1.161300    
 C   -4.099400      -3.183300     -5.9099998E-02
 C   -3.594200      -2.385400      -2.396500    
 C    1.874500     -4.5200001E-02 -0.4376000    
 C    3.749400     -0.5437000       1.173800    
 C    4.236500      0.2352000      -1.121900    
 C    3.981700      -2.043300       1.250000    
 C    4.609100       1.707400      -1.074000    
 H   -4.093600     -0.3172000     -0.4369000    
 H   -4.684500       1.595100     -0.9111000    
 H   -5.178700       2.723400      0.3439000    
 H   -5.062100       1.022000      0.8046000    
 H   -3.389300       3.890900     -0.4834000    
 H   -2.186200       2.800700      -1.201400    
 H   -1.830300       3.763100      0.2969000    
 H   -2.845200       1.617500       2.656200    
 H   -4.168900       2.745900       2.332400    
 H   -2.533500       3.351400       2.200900    
 H   -2.267200      -3.448400      -1.113100    
 H  -0.3788000      -2.389300     -0.3442000    
 H  -0.7897000       2.452300       2.041600    
 H  -0.1093000       2.738900      0.3830000    
 H   0.6468000       1.722700       1.548900    
 H   -4.929200      -2.477900      5.5500001E-02
 H   -4.511000      -4.119500     -0.4518000    
 H   -3.692300      -3.387200      0.9375000    
 H   -2.823500      -2.015200      -3.081800    
 H   -4.000100      -3.312100      -2.816500    
 H   -4.404100      -1.648500      -2.373200    
 H    3.030200     -0.2468000       1.945800    
 H    4.675000      5.9000002E-03   1.382100    
 H    3.834200     -1.7000000E-03  -2.114500    
 H    5.119600     -0.3988000     -0.9802000    
 H    4.710700      -2.369600      0.5020000    
 H    3.052600      -2.594900       1.075000    
 H    5.024900       1.979300     -9.8999999E-02
 H    3.734600       2.341000      -1.253500    


%chk=000046018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046018

1 1
Cl 4.310656 -3.403464 2.022794
Cl 6.126999 2.633138 -1.625762
O 1.122545 -0.401371 0.521469
O 1.567244 1.006946 -1.333245
N -3.249482 2.125994 0.413707
N 3.310710 0.001116 -0.113497
C -2.372403 0.860923 0.260575
C -0.967640 0.911831 0.523537
C -3.018361 -0.328825 -0.136279
C -2.300489 -1.536840 -0.315066
C -4.681522 1.927475 -0.100824
C -2.673148 3.284084 -0.417576
C -3.377923 2.506214 1.896834
C -3.013333 -2.824167 -0.731322
C -0.276857 -0.312616 0.286585
C -0.908416 -1.505232 -0.104624
C -0.126788 2.084714 1.008420
C -4.011718 -3.294864 0.360940
C -3.718811 -2.674454 -2.105789
C 1.999712 0.278282 -0.409433
C 3.729164 -0.881194 1.004917
C 4.351833 0.588648 -0.998278
C 3.760156 -2.354687 0.563659
C 4.761605 1.987991 -0.509443
H -4.091937 -0.357650 -0.325587
H -4.655445 1.623522 -1.156617
H -5.201826 2.892585 -0.005155
H -5.202113 1.176108 0.508270
H -3.340654 4.153783 -0.314694
H -2.623463 2.958966 -1.467174
H -1.669768 3.542452 -0.068318
H -3.851354 1.665745 2.425156
H -4.000431 3.411014 1.979771
H -2.387890 2.691956 2.326232
H -2.239517 -3.609100 -0.837145
H -0.297570 -2.402469 -0.243892
H -0.660995 2.822858 1.623732
H 0.339942 2.606267 0.152310
H 0.699277 1.697995 1.628535
H -4.832222 -2.565243 0.500324
H -4.470084 -4.255414 0.066870
H -3.511169 -3.438499 1.334835
H -3.010721 -2.365831 -2.895088
H -4.168158 -3.637053 -2.406861
H -4.535863 -1.929102 -2.065062
H 3.039465 -0.764555 1.854593
H 4.735166 -0.568498 1.334615
H 3.958716 0.655598 -2.025811
H 5.226776 -0.083387 -1.002793
H 4.486093 -2.543675 -0.241088
H 2.761207 -2.718196 0.283922
H 5.178627 1.976538 0.508890
H 3.933479 2.706742 -0.589372


