%chk=000018741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018741

0 1
 Cl  -3.065500      0.5175000      -4.250700    
 O   -1.293200      -2.563300       3.024500    
 N    3.062000      -1.260900      0.4019000    
 N    4.835100      0.7928000     -0.5964000    
 N   -1.192200      -2.248700      0.7178000    
 N   -2.399500      0.2427000       1.966000    
 C    2.875100     -0.6747000     -0.9310000    
 C    3.687000     -0.2878000       1.306100    
 C    1.789400      -1.731400      0.9451000    
 C    4.208500     -0.1790000      -1.501000    
 C    5.021100      0.2068000      0.7367000    
 C    1.141400      -2.790700      4.8900001E-02
 C  -0.2009000      -3.312500      0.5580000    
 C    6.108600       1.261500      -1.139700    
 C   -1.616300      -1.537800     -0.4578000    
 C   -1.715300      -2.026300       1.997000    
 C   -2.063600     -0.2005000     -0.4302000    
 C   -2.908400      -1.107800       2.079600    
 C   -2.008000      0.6403000      0.8027000    
 C   -1.577700      -2.186000      -1.708400    
 C   -2.526500      0.4213000      -1.604300    
 C   -1.453900       2.022000      0.7089000    
 C   -2.019700      -1.554600      -2.873700    
 C   -2.505700     -0.2558000      -2.819700    
 C  -0.4766000       2.307100     -0.2368000    
 C   -1.921500       3.009200       1.568000    
 C   4.1499998E-02   3.599100     -0.3247000    
 C   -1.403400       4.301300       1.479800    
 C  -0.4220000       4.596100      0.5335000    
 H    2.151000      0.1503000     -0.9038000    
 H    2.517100      -1.411500      -1.654800    
 H    3.880400     -0.7559000       2.278900    
 H    3.021200      0.5683000       1.481800    
 H    1.957200      -2.177600       1.933500    
 H    1.103300     -0.8870000       1.087700    
 H    4.875300      -1.033700      -1.679300    
 H    4.015100      0.2921000      -2.472600    
 H    5.428500      0.9620000       1.419700    
 H    5.738600     -0.6243000      0.7028000    
 H   0.9838000      -2.417300     -0.9638000    
 H    1.825600      -3.644300     -4.4599999E-02
 H  -0.5995000      -4.104200     -8.4600002E-02
 H  -2.5699999E-02  -3.804500       1.522100    
 H    5.958100       1.738600      -2.114500    
 H    6.832400      0.4476000      -1.262200    
 H    6.550300       2.019800     -0.4837000    
 H   -3.675500      -1.359000       1.339000    
 H   -3.376500      -1.232100       3.062400    
 H   -1.246300      -3.214000      -1.817800    
 H   -2.908700       1.440000      -1.573800    
 H   -1.989000      -2.099300      -3.814000    
 H  -6.7900002E-02   1.548700     -0.8978000    
 H   -2.691600       2.805400       2.306800    
 H   0.8116000       3.827000      -1.056000    
 H   -1.765200       5.078400       2.146700    
 H  -1.7500000E-02   5.601900      0.4659000    


%chk=000018741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018741

0 1
Cl -3.010295 0.388099 -4.394458
O -1.649855 -2.909248 3.008303
N 2.966342 -1.074376 0.284004
N 4.928987 0.857527 -0.656611
N -1.300608 -2.333962 0.764710
N -2.472107 0.197350 1.956703
C 2.917493 -0.527517 -1.095501
C 3.575046 -0.071708 1.199587
C 1.641419 -1.518454 0.784402
C 4.325177 -0.136482 -1.573799
C 4.982473 0.317063 0.722588
C 1.093450 -2.748361 0.031745
C -0.183257 -3.323552 0.678082
C 6.243006 1.333952 -1.127081
C -1.734774 -1.659459 -0.422579
C -1.967539 -2.213867 2.005224
C -2.025755 -0.255671 -0.441495
C -3.075857 -1.151721 2.043556
C -1.979314 0.587732 0.796028
C -1.813901 -2.398181 -1.635357
C -2.413595 0.351056 -1.668901
C -1.376640 1.956202 0.731114
C -2.195903 -1.789994 -2.844112
C -2.498749 -0.412898 -2.840040
C -0.358325 2.278083 -0.207206
C -1.785584 2.944235 1.667871
C 0.235508 3.559066 -0.209164
C -1.199128 4.225159 1.657955
C -0.185956 4.538355 0.718915
H 2.255946 0.376663 -1.147403
H 2.508544 -1.291480 -1.780161
H 3.637605 -0.512039 2.212272
H 2.948037 0.853504 1.261267
H 1.761362 -1.783779 1.852915
H 0.892050 -0.686144 0.745034
H 4.950026 -1.064336 -1.643830
H 4.259033 0.307628 -2.585129
H 5.395135 1.094234 1.393055
H 5.647426 -0.582799 0.784960
H 0.899615 -2.504681 -1.029541
H 1.866194 -3.540652 0.043315
H -0.516571 -4.226938 0.130427
H 0.007445 -3.633815 1.719689
H 6.139887 1.778186 -2.133672
H 7.014767 0.523991 -1.183805
H 6.620639 2.117070 -0.445064
H -3.799376 -1.346740 1.221572
H -3.586422 -1.249392 3.012104
H -1.590112 -3.468899 -1.628275
H -2.645984 1.419385 -1.687828
H -2.265878 -2.374731 -3.765665
H -0.013817 1.522756 -0.922049
H -2.556105 2.677685 2.397638
H 1.030424 3.787941 -0.927095
H -1.527727 4.980433 2.380457
H 0.272002 5.533820 0.714429


