%chk=000047478.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047478

0 1
 Cl  -1.821200       2.724900      0.2962000    
 O   0.4175000     -1.7200001E-02  -1.586400    
 N    2.921300     -1.1000000E-02 -0.6176000    
 N  -0.5366000     -2.4000001E-03  0.5588000    
 C    4.225600     -1.0200000E-02  5.3100001E-02
 C    5.324200     -1.0300000E-02  -1.015200    
 C    4.330400       1.252600      0.9148000    
 C    4.346000      -1.260000      0.9328000    
 C    1.845000     -6.0000003E-04  0.3586000    
 C   0.5084000     -5.9000002E-03 -0.3629000    
 C   -1.925900     -5.4000001E-03  0.2890000    
 C   -2.582300      -1.221800      0.1676000    
 C   -2.609400       1.194000      0.1505000    
 C   -3.951500      -1.239000     -9.8099999E-02
 C   -1.863500      -2.524300      0.3134000    
 C   -3.978600       1.176600     -0.1152000    
 C   -4.649600     -3.9999999E-02 -0.2395000    
 H    2.840000     -0.8406000      -1.205800    
 H    5.248500      0.8692000      -1.665300    
 H    6.320500      1.8000000E-03 -0.5587000    
 H    5.263900     -0.9015000      -1.651000    
 H    3.724400       1.213000       1.826100    
 H    4.055600       2.152700      0.3519000    
 H    5.365100       1.394500       1.251600    
 H    4.089700      -2.171800      0.3803000    
 H    5.380400      -1.379600       1.278900    
 H    3.731200      -1.218900       1.837900    
 H    1.841300     -0.8855000       1.002700    
 H    1.840400      0.9046000      0.9739000    
 H  -0.3028000      8.3300002E-02   1.545600    
 H   -4.490100      -2.177600     -0.1990000    
 H   -1.340600      -2.570900       1.274500    
 H   -2.552000      -3.375700      0.2809000    
 H   -1.141000      -2.654400     -0.4988000    
 H   -4.537800       2.102000     -0.2284000    
 H   -5.715700     -5.3399999E-02 -0.4466000    


%chk=000047478-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047478

0 1
Cl -2.163382 2.892387 0.444959
O 0.423964 -0.977348 -1.041469
N 2.879248 0.117616 -0.361563
N -0.646433 0.294927 0.619661
C 4.286645 -0.057615 0.099319
C 5.172672 0.027594 -1.167157
C 4.651531 1.097513 1.065052
C 4.523145 -1.430761 0.803538
C 1.810077 0.164533 0.635199
C 0.476514 -0.226287 -0.025529
C -2.010887 0.094132 0.250318
C -2.573946 -1.206193 0.061451
C -2.863154 1.224321 0.133354
C -3.942539 -1.298748 -0.298348
C -1.762553 -2.464219 0.282559
C -4.221814 1.127717 -0.200844
C -4.759776 -0.157369 -0.436036
H 2.624822 -0.523813 -1.127797
H 5.034501 1.004159 -1.662936
H 6.239804 -0.096587 -0.908628
H 4.903329 -0.766028 -1.890748
H 4.065261 1.046225 2.001700
H 4.453086 2.071004 0.582550
H 5.721097 1.048097 1.338399
H 4.307914 -2.264344 0.109131
H 5.571242 -1.526380 1.143188
H 3.875110 -1.547664 1.692903
H 1.952442 -0.546371 1.489697
H 1.723299 1.175941 1.085571
H -0.472087 1.080138 1.255185
H -4.374005 -2.293995 -0.452158
H -1.144602 -2.386450 1.196469
H -2.424726 -3.340483 0.383390
H -1.064353 -2.631802 -0.556966
H -4.835873 2.028328 -0.283702
H -5.814770 -0.260976 -0.709114


