%chk=000045557.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045557

0 1
 Cl  -6.280200       3.388400     -0.7356000    
 O   -2.032000      -1.243400       1.230400    
 O    4.130200       1.694200       1.967200    
 O    5.741400       1.323900     -0.2638000    
 O   -4.138000      -2.000200      0.6571000    
 N   0.3867000      -2.228600     -0.9439000    
 C   0.6153000      -1.127000      1.7400000E-02
 C    1.992900     -0.4896000     -6.4300001E-02
 C  -0.4797000     -6.3100003E-02 -0.1614000    
 C   0.8814000      -1.895400      -2.285400    
 C    2.375000      -1.564100      -2.325600    
 C    2.807800     -0.6663000      -1.196800    
 C   -1.888000     -0.6461000     -5.9599999E-02
 C   0.9232000      -3.500900     -0.4595000    
 C    2.455100      0.3102000      0.9931000    
 C    4.068000     -5.3399999E-02  -1.248300    
 C   -2.992700      0.3707000     -0.2297000    
 C    3.706700      0.9218000      0.9282000    
 C    4.512400      0.7406000     -0.1923000    
 C   -3.490700      0.6246000      -1.497200    
 C   -3.486800       1.027800      0.8849000    
 C   -3.213000      -1.890100       1.450500    
 C   -4.511300       1.562300      -1.654400    
 C   -4.507700       1.965400      0.7277000    
 C   -5.019900       2.232700     -0.5418000    
 C    4.858300       1.040700       3.004900    
 C    5.807900       2.628500     -0.8371000    
 C   -3.222400      -2.463400       2.835100    
 H   0.5112000      -1.534700       1.033100    
 H  -0.3624000      0.4672000      -1.115600    
 H  -0.3596000      0.7020000      0.6186000    
 H   0.6678000      -2.715000      -2.983100    
 H   0.3129000      -1.041200      -2.674300    
 H    2.961500      -2.489600      -2.272800    
 H    2.602000      -1.084900      -3.285600    
 H   -2.024600      -1.434000     -0.8120000    
 H   0.4260000      -3.790100      0.4734000    
 H    2.001800      -3.471300     -0.2728000    
 H   0.7200000      -4.302800      -1.178000    
 H    1.833000      0.4575000       1.873400    
 H    4.707600     -0.2028000      -2.115400    
 H   -3.099300      0.1085000      -2.369100    
 H   -3.088500      0.8671000       1.882400    
 H   -4.900600       1.760500      -2.649700    
 H   -4.889800       2.485300       1.602500    
 H    5.131000       1.788000       3.754900    
 H    5.774600      0.5916000       2.609200    
 H    4.239900      0.2743000       3.483000    
 H    5.465100       2.608100      -1.876500    
 H    6.850300       2.958000     -0.8187000    
 H    5.206900       3.335600     -0.2566000    
 H   -4.169200      -2.983800       3.005800    
 H   -2.405700      -3.181400       2.944200    
 H   -3.129500      -1.659300       3.569400    


%chk=000045557-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045557

0 1
Cl -6.566615 3.348033 -1.194991
O -2.016549 -1.007822 1.411922
O 4.024299 1.410622 2.250640
O 5.797521 1.253728 -0.084822
O -3.602250 -2.643968 0.888762
N 0.312580 -2.151287 -1.268034
C 0.525491 -1.160776 -0.177879
C 1.941771 -0.559337 -0.153312
C -0.550075 -0.036399 -0.251777
C 0.876100 -1.684790 -2.560032
C 2.410936 -1.469402 -2.504981
C 2.816757 -0.671324 -1.270567
C -1.965475 -0.587726 -0.049400
C 0.716676 -3.528112 -0.906776
C 2.380957 0.132858 1.001761
C 4.086347 -0.044765 -1.213440
C -3.090548 0.395535 -0.323318
C 3.654609 0.727901 1.065478
C 4.508346 0.667376 -0.074916
C -4.216585 -0.019171 -1.077019
C -3.050355 1.725252 0.170386
C -2.909705 -2.035757 1.736164
C -5.278751 0.871303 -1.350977
C -4.103978 2.628002 -0.087313
C -5.202115 2.184286 -0.850261
C 5.199318 0.836656 2.947746
C 5.801857 2.729627 0.047644
C -2.925523 -2.270860 3.232338
H 0.354448 -1.691168 0.779390
H -0.502231 0.466629 -1.235780
H -0.325968 0.730306 0.512212
H 0.616004 -2.421327 -3.342227
H 0.379938 -0.734245 -2.831996
H 2.921163 -2.454462 -2.487457
H 2.756221 -0.958417 -3.424450
H -2.092291 -1.501972 -0.656636
H 0.134506 -3.860716 -0.028929
H 1.799656 -3.645039 -0.663927
H 0.478022 -4.206874 -1.745559
H 1.740345 0.204995 1.888923
H 4.770380 -0.093634 -2.068604
H -4.271171 -1.052173 -1.436106
H -2.196063 2.063774 0.766514
H -6.146873 0.548179 -1.932358
H -4.073370 3.652799 0.293740
H 5.383241 1.499507 3.807086
H 6.080501 0.809630 2.281588
H 4.967271 -0.185353 3.303403
H 5.301828 3.189855 -0.825800
H 6.863706 3.019040 0.066683
H 5.295924 3.045767 0.977801
H -3.300535 -3.283162 3.444877
H -1.923194 -2.129846 3.666808
H -3.604201 -1.538772 3.707278


