%chk=000050844.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050844

1 1
 Cl   5.590800      5.6600001E-02  -1.308500    
 N    1.831200     -0.1675000      0.3297000    
 C    1.023900      0.3598000     -0.8018000    
 C    3.211200     -0.6280000     -0.1570000    
 C    1.130200      -1.364200      0.9851000    
 C    2.036300      0.9126000       1.399600    
 C  -0.3373000      0.8261000     -0.3875000    
 C    3.968300      0.5412000     -0.7582000    
 C    1.996000      -1.896200       2.106100    
 C   -1.448600     -3.2699998E-02 -0.3804000    
 C  -0.4670000       2.161000     -3.5999999E-03
 C   -2.709100      0.4698000      2.1500001E-02
 C   -1.336500      -1.379100     -0.7637000    
 C   -1.706400       2.655300      0.3917000    
 C   -2.821200       1.816300      0.4046000    
 C   -3.820200     -0.3889000      2.8400000E-02
 C   -2.451100      -2.218100     -0.7507000    
 C   -3.690600      -1.723900     -0.3554000    
 H    1.000400     -0.3875000      -1.602400    
 H    1.542300       1.222000      -1.235300    
 H    3.791800      -1.003500      0.6886000    
 H    3.056600      -1.433400     -0.8845000    
 H   0.1788000      -1.041500       1.411900    
 H    1.013400      -2.149000      0.2356000    
 H    2.898300      0.6577000       2.023300    
 H    2.236400       1.871300      0.9130000    
 H    1.137200      0.9866000       2.019100    
 H    4.131500       1.356000     -5.0299998E-02
 H    3.487200      0.9437000      -1.650500    
 H    1.414300      -2.652500       2.649200    
 H    2.882200      -2.431700       1.755000    
 H    2.285100      -1.159100       2.857300    
 H   0.3791000       2.842200     -2.3399999E-02
 H  -0.4269000      -1.812700      -1.160000    
 H   -1.807900       3.695800      0.6861000    
 H   -3.780500       2.224400      0.7162000    
 H   -4.799000     -2.3900000E-02  0.3328000    
 H   -2.355600      -3.252900      -1.066800    
 H   -4.558800      -2.376400     -0.3497000    


%chk=000050844-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050844

1 1
Cl 5.589570 -0.532302 -1.607073
N 1.963952 -0.069303 0.446305
C 1.015520 0.460489 -0.715154
C 3.263323 -0.618835 -0.186786
C 1.250977 -1.227118 1.200778
C 2.279265 1.061206 1.416818
C -0.381037 0.846032 -0.287263
C 4.047733 0.377507 -1.052306
C 2.026721 -1.829214 2.378190
C -1.504347 -0.064274 -0.415061
C -0.597480 2.154378 0.183614
C -2.813795 0.394069 0.020377
C -1.410335 -1.385962 -0.969939
C -1.884524 2.596300 0.604267
C -2.970078 1.722290 0.534735
C -3.944989 -0.481336 -0.086522
C -2.532936 -2.211900 -1.072750
C -3.811745 -1.763605 -0.618123
H 1.028788 -0.342231 -1.470148
H 1.546312 1.335494 -1.124020
H 3.904936 -0.961765 0.640459
H 2.976879 -1.496766 -0.791470
H 0.289091 -0.809339 1.538308
H 1.036290 -1.994187 0.438255
H 3.051967 0.728049 2.124443
H 2.644126 1.935403 0.857801
H 1.361367 1.332445 1.957397
H 4.402944 1.260009 -0.501581
H 3.530510 0.671866 -1.975035
H 1.394473 -2.625106 2.810275
H 2.977335 -2.305068 2.085637
H 2.217256 -1.104573 3.186897
H 0.236637 2.866710 0.214056
H -0.456093 -1.761756 -1.356006
H -2.016017 3.619820 0.967085
H -3.965095 2.050420 0.855744
H -4.923312 -0.119252 0.248562
H -2.437660 -3.209594 -1.513835
H -4.680726 -2.423303 -0.701831


