%chk=000044127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044127

0 1
 Cl  -5.931400      -2.247600      0.8937000    
 S   -1.479300       1.334700      -1.805800    
 O  -0.8664000      -1.682600       1.654100    
 N    5.290700      -1.190200     -0.4582000    
 C    2.834600     -0.7951000     -0.3099000    
 C    1.550900      -1.221900      0.4221000    
 C   0.3107000     -0.4277000     -1.5500000E-02
 C    4.048200      -1.609400      0.1824000    
 C   0.3847000       1.064900      0.2483000    
 C    2.707500     -0.9577000      -1.828800    
 C  -0.9457000     -0.9885000      0.6393000    
 C  -0.4258000       1.938000     -0.5011000    
 C   -2.307300     -0.6915000      7.0799999E-02
 C    1.189900       1.609400       1.262500    
 C   -2.609900      0.2539000     -0.9315000    
 C    6.408400      -2.018600     -3.8000001E-03
 C    5.560000      0.2219000     -0.1838000    
 C  -0.3931000       3.318700     -0.2585000    
 C   -3.359300      -1.453700      0.6231000    
 C    1.212300       2.984500       1.503900    
 C   0.4240000       3.838900      0.7420000    
 C   -3.951300      0.3898000      -1.350600    
 C   -4.677800      -1.296400      0.1972000    
 C   -4.974500     -0.3737000     -0.7920000    
 H    3.004900      0.2624000     -9.8999999E-02
 H    1.702400      -1.156000       1.507000    
 H    1.371900      -2.288600      0.2244000    
 H   0.2026000     -0.6297000      -1.085700    
 H    4.125600      -1.519000       1.274500    
 H    3.866400      -2.670600     -3.4000002E-02
 H    3.638200     -0.7227000      -2.354200    
 H    1.956600     -0.2784000      -2.243400    
 H    2.423200      -1.981900      -2.094200    
 H    1.804000      0.9807000       1.900000    
 H    6.224200      -3.074000     -0.2338000    
 H    6.581300      -1.925200       1.074500    
 H    7.330800      -1.742400     -0.5267000    
 H    4.884800      0.8852000     -0.7325000    
 H    6.563500      0.4925000     -0.5349000    
 H    5.509200      0.4585000      0.8853000    
 H   -1.005000       4.002900     -0.8420000    
 H   -3.158300      -2.194000       1.396000    
 H    1.842900       3.385700       2.292100    
 H   0.4418000       4.908400      0.9289000    
 H   -4.222300       1.104500      -2.127100    
 H   -5.993700     -0.2348000      -1.142400    


%chk=000044127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044127

0 1
Cl -5.968582 -2.418636 0.962894
S -1.522318 1.366502 -1.831300
O -0.838690 -1.554348 1.801323
N 5.338986 -1.161276 -0.401527
C 2.829527 -0.739840 -0.382789
C 1.550860 -1.149346 0.393329
C 0.288655 -0.350022 0.004294
C 4.031310 -1.542123 0.182775
C 0.347793 1.154594 0.286567
C 2.697659 -0.955124 -1.907226
C -0.958683 -0.884974 0.734588
C -0.457071 2.034085 -0.479693
C -2.329532 -0.647355 0.143896
C 1.140236 1.713423 1.321132
C -2.660728 0.215041 -0.946071
C 6.372650 -2.191881 -0.175900
C 5.799300 0.174496 0.026108
C -0.439480 3.430511 -0.274225
C -3.370332 -1.432962 0.724382
C 1.163352 3.107347 1.542821
C 0.383992 3.970957 0.738586
C -3.986178 0.231890 -1.453639
C -4.666590 -1.393564 0.206008
C -4.994618 -0.576210 -0.896450
H 3.012148 0.338890 -0.201486
H 1.718086 -1.072124 1.484504
H 1.342362 -2.221750 0.204497
H 0.101265 -0.460612 -1.084194
H 4.041129 -1.441371 1.302010
H 3.866553 -2.616008 -0.038117
H 3.681289 -0.810374 -2.387111
H 1.977955 -0.253008 -2.366878
H 2.359512 -1.986826 -2.129321
H 1.744627 1.053366 1.950997
H 6.032355 -3.157986 -0.589170
H 6.620230 -2.346500 0.905992
H 7.303800 -1.905862 -0.697942
H 5.069319 0.947988 -0.267301
H 6.756642 0.411196 -0.471715
H 5.956682 0.249247 1.133757
H -1.075117 4.080390 -0.883799
H -3.104992 -2.071860 1.571997
H 1.787411 3.520189 2.342856
H 0.400162 5.052714 0.908328
H -4.235166 0.905722 -2.279743
H -6.012670 -0.553005 -1.295344


