%chk=000040391.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040391

0 1
 Cl -0.5905000       4.498700      0.8260000    
 O    2.212000      -3.062000      0.1219000    
 N    1.961500     -0.7907000     -0.3348000    
 N  -0.5282000      -1.749600       1.115500    
 C    1.298000      0.4600000     -8.4500000E-02
 C  -2.5800001E-02  0.5477000      0.3941000    
 C  -0.9032000     -0.6498000      0.5548000    
 C    1.717700      -1.963500      0.3893000    
 C   0.8329000      -1.826600       1.602700    
 C   -2.297300     -0.5985000      2.6900001E-02
 C    1.981200       1.666500     -0.3357000    
 C  -0.5991000       1.800100      0.6808000    
 C    2.998600     -0.8246000      -1.366000    
 C    1.397800       2.907300     -6.7299999E-02
 C   0.1126000       2.973700      0.4524000    
 C   -2.583400      0.1905000      -1.080400    
 C   -3.294500      -1.340700      0.6478000    
 C   -3.887000      0.2385000      -1.574400    
 C   -4.598100      -1.292700      0.1536000    
 C   -4.894300     -0.5031000     -0.9575000    
 C    4.306700     -0.4813000     -0.8092000    
 C    5.382300     -0.1997000     -0.3560000    
 H   0.9423000      -2.727000       2.217300    
 H    1.128100     -0.9832000       2.236600    
 H    2.993800       1.694300     -0.7225000    
 H   -1.605200       1.863900       1.091100    
 H    3.045400      -1.833800      -1.792000    
 H    2.721500     -0.1634000      -2.195400    
 H    1.968700       3.812500     -0.2587000    
 H   -1.818700      0.7536000      -1.607200    
 H   -3.089800      -1.955700       1.519700    
 H   -4.116400      0.8470000      -2.444300    
 H   -5.383000      -1.868800      0.6349000    
 H   -5.909000     -0.4671000      -1.343000    
 H    6.335900      5.0700001E-02  4.6399999E-02


%chk=000040391-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040391

0 1
Cl -0.561213 4.659751 0.780072
O 2.461025 -2.981206 0.311569
N 1.959577 -0.772749 -0.251447
N -0.567801 -1.723464 1.142363
C 1.332591 0.485959 0.025211
C -0.055783 0.585474 0.374176
C -0.939923 -0.614864 0.529886
C 1.815426 -1.927908 0.553515
C 0.803273 -1.793534 1.697025
C -2.339998 -0.568590 -0.000446
C 2.100718 1.674791 -0.122141
C -0.612315 1.875896 0.601745
C 2.955859 -0.869850 -1.358359
C 1.534914 2.943429 0.093969
C 0.178277 3.024316 0.467219
C -2.697369 0.255237 -1.102378
C -3.330432 -1.408677 0.578090
C -4.015437 0.242163 -1.609250
C -4.646352 -1.415620 0.075277
C -4.995518 -0.588892 -1.020370
C 4.341610 -0.522212 -0.978897
C 5.507160 -0.241463 -0.694376
H 0.888532 -2.697675 2.316386
H 1.059859 -0.899720 2.306919
H 3.161096 1.602380 -0.381152
H -1.665717 1.961078 0.881817
H 2.940488 -1.922378 -1.695406
H 2.612427 -0.226321 -2.187426
H 2.140760 3.847710 -0.010832
H -1.943099 0.890763 -1.578554
H -3.039121 -2.052073 1.413816
H -4.275105 0.875756 -2.464445
H -5.401509 -2.062868 0.534747
H -6.019219 -0.594724 -1.411010
H 6.525818 -0.016717 -0.434412


