%chk=000048346.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048346

0 1
 Cl   3.556900       3.535500     -5.2900001E-02
 N   0.8518000      0.5511000      5.0099999E-02
 C   0.9278000     -0.8372000     -0.3890000    
 C    2.080200      -1.553500      0.3131000    
 C  -0.2713000       1.234600     -0.5939000    
 C    2.104600       1.251900     -0.2371000    
 C    2.164700      -3.018300     -0.1174000    
 C   -1.585100      0.5839000     -0.2707000    
 C    2.044400       2.670000      0.3092000    
 C    3.331100      -3.729200      0.5502000    
 C   -2.069100     -0.4311000      -1.087800    
 C   -2.304300       1.002500      0.8427000    
 C   -3.289600      -1.036000     -0.7875000    
 C   -3.524800      0.3975000       1.143000    
 C   -4.017300     -0.6218000      0.3279000    
 H    1.047700     -0.9124000      -1.477600    
 H   3.3799998E-02  -1.398000     -0.1033000    
 H    1.961400      -1.492400       1.402100    
 H    3.051300      -1.120400      5.7700001E-02
 H  -0.1399000       1.281300      -1.684400    
 H  -0.3781000       2.271600     -0.2635000    
 H    2.318700       1.260100      -1.313900    
 H    2.957100      0.7934000      0.2698000    
 H    2.281300      -3.082600      -1.205600    
 H    1.233600      -3.536400      0.1402000    
 H    1.276100       3.291100     -0.1507000    
 H    1.905200       2.680400       1.394900    
 H    3.367800      -4.776200      0.2334000    
 H    4.283400      -3.260400      0.2821000    
 H    3.231800      -3.707500       1.640100    
 H   -1.522000     -0.7552000      -1.968800    
 H   -1.930100       1.793200       1.487100    
 H   -3.674700      -1.827200      -1.423900    
 H   -4.091400      0.7194000       2.011900    
 H   -4.967900      -1.092300      0.5614000    


%chk=000048346-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048346

0 1
Cl 3.449694 3.722882 0.347467
N 0.885645 0.570744 -0.499964
C 1.198896 -0.861759 -0.736048
C 2.037909 -1.494420 0.393254
C -0.351214 1.039362 -1.166663
C 2.027827 1.499139 -0.652316
C 2.398817 -2.969428 0.102906
C -1.629314 0.447109 -0.574857
C 2.053878 2.448090 0.553735
C 3.217072 -3.618516 1.239689
C -2.739614 0.168331 -1.409524
C -1.745436 0.214744 0.818801
C -3.948456 -0.321712 -0.863706
C -2.950141 -0.278279 1.366747
C -4.058096 -0.545889 0.527910
H 1.720991 -1.007055 -1.715302
H 0.236757 -1.402798 -0.803851
H 1.466057 -1.423689 1.339311
H 2.973855 -0.918085 0.545431
H -0.332095 0.839564 -2.267347
H -0.387579 2.141816 -1.056086
H 1.976037 2.089390 -1.593745
H 2.974171 0.931681 -0.684087
H 2.971280 -3.027199 -0.845619
H 1.467317 -3.549126 -0.059954
H 1.130671 3.039724 0.646504
H 2.267692 1.913900 1.490191
H 3.466272 -4.670352 1.008380
H 4.166478 -3.075253 1.406322
H 2.652827 -3.606158 2.191092
H -2.658603 0.333974 -2.491599
H -0.875857 0.414367 1.454986
H -4.798865 -0.532993 -1.522058
H -3.026870 -0.453996 2.446075
H -4.992901 -0.928709 0.952823


