%chk=000112349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112349

0 1
 Cl   2.110900      -2.962300      0.4303000    
 O   -3.544700      -1.740600      -1.503000    
 O    3.059700       3.083700      -1.026900    
 O    1.125000       2.047300     -0.9839000    
 O    7.114100      0.7658000      4.7699999E-02
 O    7.062600      -1.360500      0.5907000    
 N   -5.208900     -6.6600002E-02  2.8400000E-02
 N   0.3535000     -3.1900000E-02  0.6919000    
 N   0.9070000     -0.3248000     -0.3932000    
 N    2.370000       2.053900     -0.8412000    
 N    6.484700     -0.3009000      0.2483000    
 C   -3.806300     -6.2100001E-02  0.1913000    
 C   -5.798900      0.2802000      -1.248400    
 C   -6.074100     -0.4045000       1.139900    
 C   -2.999600     -0.9003000     -0.5785000    
 C   -3.228800      0.7906000       1.132000    
 C   -1.844600      0.8051000       1.303100    
 C   -1.037800     -3.3100002E-02  0.5335000    
 C   -1.615200     -0.8859000     -0.4073000    
 C   -5.423500       1.699500      -1.628900    
 C   -6.983200      0.7642000       1.468100    
 C   -1.249200       1.726600       2.316800    
 C   -3.903200      -3.047100      -1.058500    
 C    2.303300     -0.3232000     -0.2337000    
 C    3.023700      0.8501000     -0.4551000    
 C    2.967000      -1.489400      0.1459000    
 C    4.409600      0.8572000     -0.2965000    
 C    5.074100     -0.3087000      8.3099999E-02
 C    4.352900      -1.482100      0.3042000    
 H   -5.481000     -0.4058000      -2.039600    
 H   -6.890800      0.1913000      -1.220700    
 H   -6.680100      -1.280000      0.8785000    
 H   -5.498400     -0.6811000       2.031600    
 H   -3.856600       1.448800       1.728000    
 H   -1.021900      -1.569400      -1.010600    
 H   -5.935200       1.987400      -2.553100    
 H   -4.347900       1.805700      -1.803800    
 H   -5.711300       2.412300     -0.8490000    
 H   -7.574000      0.5358000       2.361500    
 H   -7.689600      0.9863000      0.6628000    
 H   -6.407400       1.673300       1.670800    
 H  -0.5638000       2.431600       1.834700    
 H   -2.013800       2.315300       2.834900    
 H  -0.7039000       1.156600       3.076400    
 H   -3.015900      -3.593600     -0.7234000    
 H   -4.639000      -2.995200     -0.2500000    
 H   -4.347500      -3.585000      -1.900400    
 H    4.975700       1.769900     -0.4672000    
 H    4.852600      -2.401600      0.6015000    


%chk=000112349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112349

0 1
Cl 2.026910 -1.329509 2.659628
O -3.660766 -1.174343 -1.742460
O 3.331703 1.238812 -3.125412
O 1.455366 1.701126 -1.906899
O 7.289441 -0.360142 -0.838591
O 7.088290 -1.392940 1.193129
N -5.432232 -0.320414 0.343332
N 0.150975 0.423173 0.978685
N 0.955849 0.053304 0.014993
N 2.624845 1.162179 -2.041423
N 6.592615 -0.768706 0.171820
C -4.055059 -0.147806 0.437640
C -6.181202 -0.406213 -0.947856
C -6.285237 -0.200169 1.554500
C -3.117613 -0.553956 -0.603832
C -3.476997 0.429309 1.620130
C -2.101565 0.625749 1.806840
C -1.215310 0.216788 0.757118
C -1.748317 -0.366513 -0.433635
C -6.083644 0.875581 -1.803133
C -6.876903 1.209816 1.788397
C -1.571116 1.261176 3.075449
C -2.727369 -1.600208 -2.792873
C 2.326463 -0.019537 0.170189
C 3.188039 0.411739 -0.904750
C 2.989176 -0.706268 1.250803
C 4.569251 0.163534 -0.926734
C 5.143481 -0.513167 0.161667
C 4.361158 -0.952442 1.259401
H -5.814011 -1.264396 -1.529411
H -7.236404 -0.596015 -0.681595
H -7.111431 -0.926953 1.440264
H -5.705010 -0.527876 2.433599
H -4.143074 0.776945 2.412943
H -1.030271 -0.663479 -1.202578
H -6.677757 0.749049 -2.726893
H -5.039204 1.069848 -2.098178
H -6.467167 1.759205 -1.263278
H -7.480009 1.216220 2.714672
H -7.535962 1.508382 0.954528
H -6.084164 1.971785 1.885156
H -0.962471 2.153235 2.846679
H -2.395631 1.556371 3.746531
H -0.905921 0.566968 3.618862
H -2.164408 -0.739587 -3.200543
H -2.021292 -2.361478 -2.410709
H -3.362152 -2.038166 -3.576902
H 5.179578 0.502361 -1.766939
H 4.846828 -1.469571 2.090670


