%chk=000023045.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023045

0 1
 Cl  -1.843300       4.850200      -1.272900    
 S   -1.592400     -0.5062000       2.052400    
 N    2.253600     -0.3326000     -0.2337000    
 N    5.968900     -0.5791000      1.3300000E-02
 N  -0.3521000      -1.214300     -0.7626000    
 C    3.649200     -4.5800000E-02 -0.5571000    
 C    1.352500      0.4377000      -1.058900    
 C    4.575500     -0.8522000      0.3482000    
 C  -4.6399999E-02  4.0600002E-02 -0.6323000    
 C  -0.9177000       1.128200     -0.1163000    
 C   -1.613500       1.001300       1.095300    
 C   -1.612200      -1.753000     -0.4475000    
 C   -2.256300      -1.585600      0.7918000    
 C  -0.9904000       2.321000     -0.8469000    
 C   -2.369400       2.082700       1.566600    
 C    6.865500      -1.376000      0.8520000    
 C    6.264900      0.8464000      0.1644000    
 C   -1.752500       3.386800     -0.3710000    
 C   -2.438100       3.269400      0.8353000    
 C   -2.207600      -2.589600      -1.404000    
 C   -3.470200      -2.239500       1.049000    
 C   -3.419000      -3.232000      -1.146300    
 C   -4.048800      -3.058400      8.1200004E-02
 H    3.847200     -0.2945000      -1.607100    
 H    3.799300       1.030200     -0.4240000    
 H    1.528200       1.508700     -0.9219000    
 H    1.468100      0.1925000      -2.120800    
 H    4.370000     -0.6213000       1.402500    
 H    4.367400      -1.920600      0.2046000    
 H    2.088200     -0.1216000      0.7507000    
 H  -0.4635000       2.419300      -1.793500    
 H   -2.919700       2.013500       2.502400    
 H    6.665400      -2.445400      0.7218000    
 H    6.762500      -1.132300       1.915700    
 H    7.909600      -1.216800      0.5604000    
 H    5.824100       1.443600     -0.6395000    
 H    7.344700       1.021800      8.0200002E-02
 H    5.941600       1.243000       1.133800    
 H   -3.034300       4.093400       1.219100    
 H   -1.720400      -2.751700      -2.363400    
 H   -3.982100      -2.112500       2.000300    
 H   -3.864800      -3.873000      -1.901100    
 H   -4.990400      -3.559500      0.2855000    


%chk=000023045-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023045

0 1
Cl -0.191223 4.612796 -0.003109
S -1.821309 -1.335490 1.944371
N 2.257989 -0.264100 -0.165266
N 6.032107 0.007647 0.175793
N -0.886216 -1.638775 -1.112399
C 3.662808 -0.273302 -0.624630
C 1.275756 -0.580256 -1.217446
C 4.604552 -0.015733 0.568239
C -0.156937 -0.635154 -0.690081
C -0.614333 0.516567 0.157168
C -1.396520 0.352397 1.335110
C -2.237883 -1.919751 -0.811517
C -2.827735 -1.864095 0.487871
C -0.251108 1.835458 -0.237937
C -1.803012 1.473572 2.091065
C 6.931750 -0.268300 1.315059
C 6.424396 1.240177 -0.538027
C -0.667122 2.935460 0.530274
C -1.436411 2.780508 1.699417
C -3.037447 -2.403662 -1.887728
C -4.161442 -2.275715 0.695516
C -4.374811 -2.791802 -1.684421
C -4.941122 -2.739176 -0.387753
H 3.893943 -1.269672 -1.044281
H 3.851547 0.471142 -1.438333
H 1.311053 0.136786 -2.084905
H 1.495843 -1.577049 -1.635454
H 4.299996 0.936591 1.083184
H 4.452400 -0.832381 1.296488
H 2.024094 0.597006 0.348154
H 0.335946 1.993424 -1.147994
H -2.407671 1.323850 2.990565
H 6.669038 -1.238734 1.771793
H 6.891738 0.514718 2.115253
H 7.974905 -0.331716 0.955818
H 5.807337 1.375747 -1.442389
H 7.478104 1.160152 -0.860083
H 6.323922 2.161619 0.092458
H -1.744821 3.649811 2.286704
H -2.570013 -2.469623 -2.875095
H -4.585525 -2.224027 1.703641
H -4.970544 -3.151296 -2.530334
H -5.974720 -3.058820 -0.219058


