%chk=000047642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047642

0 1
 Cl   7.588300      0.5330000      -2.938700    
 O   0.5340000      -4.572500     -0.1278000    
 O   -3.737400      0.7837000       1.097600    
 O    3.386900       2.242200       1.903600    
 O   -2.019100      0.8554000     -0.4867000    
 O   -5.196300      -1.881400      -1.644100    
 O   -4.775700      -1.719800      0.5838000    
 N    2.035100      0.6003000       1.128900    
 C  -0.1294000      8.7700002E-02   1.458200    
 C   0.5168000      -1.065900      0.9560000    
 C   0.8099000       1.084100       1.547200    
 C    1.863500     -0.7358000      0.7502000    
 C   -1.559000      0.2015000       1.817400    
 C   6.6500001E-02  -2.368700      0.6559000    
 C    2.770400      -1.694000      0.2577000    
 C   0.5894000       2.472600       2.017400    
 C    3.225400       1.357500       1.069400    
 C   0.9673000      -3.314300      0.1623000    
 C    2.301100      -2.979300     -3.2299999E-02
 C   -2.423400      0.6506000      0.6501000    
 C    4.302200       1.154100      8.1100002E-02
 C    5.620000       1.449600      0.4206000    
 C    3.994900      0.6684000      -1.187300    
 C   -4.614900       1.195200      9.1799997E-02
 C    6.637200       1.258000     -0.5144000    
 C    5.012100      0.4767000      -2.122200    
 C  -0.8472000      -4.850100      9.4999999E-02
 C    6.333200      0.7715000      -1.785700    
 C   -5.255500      0.2526000     -0.6824000    
 C   -4.804000       2.549400     -8.4600002E-02
 C   -6.127700      0.6843000      -1.681800    
 C   -5.676000       2.981000      -1.083900    
 C   -6.338000       2.048500      -1.882600    
 C   -5.050500      -1.176300     -0.4897000    
 H   -1.940000     -0.7681000       2.159000    
 H   -1.696100      0.9102000       2.641600    
 H  -0.9835000      -2.574100      0.8264000    
 H    3.832100      -1.501000      0.1653000    
 H    1.065100       3.198100       1.349200    
 H   0.9897000       2.605300       3.027600    
 H  -0.4722000       2.735700       2.045500    
 H    3.001000      -3.726500     -0.3991000    
 H    5.878300       1.823800       1.407700    
 H    2.971600      0.4823000      -1.500500    
 H    7.662400       1.490400     -0.2379000    
 H    4.759200      0.1081000      -3.113000    
 H   -1.016700      -5.893900     -0.1892000    
 H   -1.110400      -4.761900       1.154600    
 H   -1.490400      -4.237200     -0.5458000    
 H   -4.290000       3.275900      0.5371000    
 H   -6.667900     -1.7600000E-02  -2.311900    
 H   -5.840400       4.043200      -1.239600    
 H   -7.019200       2.385000      -2.658700    
 H   -5.056400      -2.842400      -1.505000    


%chk=000047642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047642

0 1
Cl 7.766253 0.380306 -3.052573
O 0.203175 -4.373137 -0.291082
O -3.689032 1.138821 0.975499
O 3.807761 2.043182 2.225757
O -2.013328 1.020879 -0.669449
O -5.034090 -2.165588 -1.539432
O -3.513155 -1.544565 0.086397
N 2.237881 0.660198 1.170744
C -0.027479 0.409502 1.434955
C 0.503255 -0.826480 0.879057
C 1.031561 1.289108 1.628493
C 1.912744 -0.665071 0.726079
C -1.475683 0.657776 1.744198
C -0.129662 -2.048296 0.541385
C 2.725960 -1.738743 0.301354
C 1.008690 2.701294 2.138241
C 3.532336 1.244083 1.283693
C 0.686288 -3.105653 0.085319
C 2.099360 -2.955910 -0.021678
C -2.338323 0.935220 0.520605
C 4.535347 0.941683 0.212157
C 5.912280 1.007996 0.548912
C 4.155735 0.723708 -1.138702
C -4.744282 1.211543 0.034252
C 6.902916 0.827469 -0.436571
C 5.136610 0.559766 -2.138642
C -1.236895 -4.597889 -0.163875
C 6.495855 0.605321 -1.768498
C -5.146208 0.095098 -0.757081
C -5.444367 2.432578 -0.030877
C -6.261092 0.256391 -1.627025
C -6.551467 2.566707 -0.893850
C -6.957430 1.476464 -1.699864
C -4.468790 -1.222661 -0.664924
H -1.931801 -0.220401 2.241039
H -1.611131 1.499441 2.447218
H -1.215701 -2.144080 0.622377
H 3.811507 -1.652546 0.218760
H 1.493850 3.398670 1.430777
H 1.548707 2.800627 3.094643
H -0.034104 3.032466 2.275234
H 2.685430 -3.814786 -0.361345
H 6.192140 1.213155 1.587011
H 3.097082 0.690969 -1.413209
H 7.965249 0.865043 -0.180192
H 4.850456 0.401553 -3.182007
H -1.399203 -5.630215 -0.508252
H -1.569588 -4.494107 0.887471
H -1.811264 -3.889785 -0.793458
H -5.105455 3.262022 0.596441
H -6.567451 -0.597268 -2.236249
H -7.089545 3.519345 -0.941081
H -7.812332 1.578311 -2.375505
H -4.543269 -3.024415 -1.439350


