%chk=000044579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044579

0 1
 Cl   3.973900      -3.706400      0.2979000    
 O    3.183700       2.450000      0.7306000    
 N   -2.081700       1.035900     -0.5180000    
 N    1.442000      0.9318000      0.5344000    
 C   0.3782000       1.852200      0.8683000    
 C  -0.7706000       1.133400       1.579600    
 C  -0.1432000       2.569400     -0.3791000    
 C   -1.582700      0.2555000      0.6222000    
 C  -0.9767000       1.643900      -1.271100    
 C   -2.898300      0.1966000      -1.394700    
 C   -4.090300     -0.3745000     -0.6737000    
 C    2.773100       1.317000      0.4940000    
 C   -3.978000      -1.599600     -3.1199999E-02
 C   -5.284900      0.3320000     -0.6621000    
 C    3.742600      0.2596000      0.1080000    
 C   -5.082500      -2.128900      0.6364000    
 C   -6.389400     -0.1973000      5.5000000E-03
 C   -6.288200      -1.427800      0.6548000    
 C    3.426900      -1.059200      0.3609000    
 C    4.927700      0.6310000     -0.4923000    
 C    4.337300      -2.051300     -3.0000000E-03
 C    5.838200     -0.3610000     -0.8561000    
 C    5.542900      -1.702300     -0.6115000    
 H   0.7950000       2.602300       1.551600    
 H   -1.436600       1.882200       2.028700    
 H  -0.3844000      0.5178000       2.401300    
 H   0.6874000       2.985100     -0.9621000    
 H  -0.7671000       3.417800     -6.8200000E-02
 H  -0.9833000     -0.6017000      0.2907000    
 H   -2.399700     -0.1244000       1.241000    
 H   -1.378100       2.243200      -2.097600    
 H  -0.3325000      0.8732000      -1.714100    
 H   -2.306700     -0.6199000      -1.832200    
 H   -3.260200      0.7879000      -2.246700    
 H    1.169100      1.0700000E-02  0.2100000    
 H   -3.050900      -2.165700     -4.9899999E-02
 H   -5.374400       1.292000      -1.162700    
 H   -5.004700      -3.088600       1.138900    
 H   -7.328100      0.3488000      2.0199999E-02
 H   -7.148400      -1.840200       1.173900    
 H    2.511400      -1.355000      0.8645000    
 H    5.170300       1.669900     -0.6948000    
 H    6.776300     -8.9500003E-02  -1.331200    
 H    6.261700      -2.464600     -0.9008000    


%chk=000044579-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044579

0 1
Cl 4.649763 -3.570320 0.927838
O 3.021848 2.648119 0.176109
N -2.048760 0.757255 -0.525198
N 1.487356 0.938026 0.514208
C 0.361702 1.863041 0.787521
C -0.748514 1.126268 1.569200
C -0.226255 2.458739 -0.519331
C -1.501179 0.107058 0.686691
C -0.983724 1.398420 -1.338698
C -2.902584 -0.154497 -1.322959
C -4.211556 -0.515703 -0.625434
C 2.760662 1.403390 0.247672
C -4.750561 -1.821269 -0.732140
C -4.933224 0.465807 0.100421
C 3.836446 0.361899 0.037430
C -5.991463 -2.141287 -0.133674
C -6.170231 0.148494 0.702918
C -6.706060 -1.156430 0.585883
C 3.729460 -0.968084 0.522704
C 5.009369 0.762568 -0.650552
C 4.788097 -1.864230 0.289051
C 6.054281 -0.157212 -0.874136
C 5.952988 -1.489261 -0.407005
H 0.780067 2.688349 1.391509
H -1.475277 1.878338 1.926366
H -0.324169 0.619621 2.456919
H 0.588841 2.902564 -1.117465
H -0.927502 3.268985 -0.243412
H -0.822400 -0.749904 0.411209
H -2.336563 -0.333527 1.258835
H -1.457633 1.875153 -2.216976
H -0.256165 0.639466 -1.731846
H -2.363574 -1.096227 -1.603525
H -3.132189 0.368582 -2.273478
H 1.284109 -0.060318 0.447153
H -4.197407 -2.591835 -1.284459
H -4.501142 1.468697 0.191802
H -6.395974 -3.155911 -0.224366
H -6.717839 0.916249 1.261794
H -7.666501 -1.403073 1.052472
H 2.866651 -1.300822 1.108684
H 5.077945 1.801374 -0.987515
H 6.956211 0.155057 -1.410651
H 6.758752 -2.210310 -0.571266


