%chk=000051722.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051722

0 1
 Cl -0.5886000       3.881900      -3.102000    
 O  -0.2143000      -1.715100       1.965800    
 O   -3.512000      -1.450600     -5.3399999E-02
 O   -4.940100      -1.416500       1.709100    
 N   -1.647800     -4.7699999E-02   1.121600    
 C   0.5601000     -0.1735000      0.1768000    
 C  -0.2974000      0.9310000     -0.4405000    
 C  -0.4560000     -0.7768000       1.217800    
 C   -1.562700      0.9524000      0.1483000    
 C    1.754300      0.3643000      0.8923000    
 C   0.9437000      -1.220600     -0.8150000    
 C   1.7899999E-02   1.830400      -1.451500    
 C   -2.819800     -0.2980000       1.928100    
 C   -2.535700       1.860300     -0.2378000    
 C    2.559500     -0.4908000       1.644000    
 C    2.190800      -1.167500      -1.436700    
 C    2.064100       1.721300      0.8083000    
 C   5.5000000E-02  -2.251300      -1.118900    
 C  -0.9517000       2.752600      -1.853100    
 C   -2.218600       2.767600      -1.249900    
 C    3.675800      1.1700000E-02   2.312600    
 C    2.549600      -2.146200      -2.363600    
 C    3.180600       2.223700       1.476900    
 C   0.4139000      -3.230100      -2.045600    
 C   -3.868300      -1.103800       1.205300    
 C    3.986400       1.368800       2.229000    
 C    1.661200      -3.177400      -2.667900    
 H   0.9901000       1.804000      -1.935400    
 H   -3.249500      0.6545000       2.252400    
 H   -2.518500     -0.8721000       2.810600    
 H   -3.520200       1.879000      0.2159000    
 H    2.348700      -1.553800       1.720500    
 H    2.902400     -0.3663000      -1.260800    
 H    1.481600       2.471600      0.2963000    
 H  -0.9334000      -2.321400     -0.6771000    
 H   -2.970600       3.486700      -1.566600    
 H    4.304300     -0.6540000       2.896800    
 H    3.517200      -2.101000      -2.854900    
 H    3.418000       3.282300       1.421800    
 H  -0.2797000      -4.030300      -2.287100    
 H    4.854500       1.760400       2.751100    
 H    1.939300      -3.937800      -3.391900    
 H   -4.209600      -1.974100     -0.5021000    


%chk=000051722-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051722

0 1
Cl -0.658588 3.707636 -3.468371
O -0.217720 -1.646866 2.077710
O -3.474036 -1.764110 0.232761
O -5.121129 -0.832694 1.585986
N -1.604085 0.024626 1.169247
C 0.584562 -0.149643 0.181648
C -0.279251 0.913790 -0.505171
C -0.409951 -0.717656 1.256935
C -1.553432 0.972613 0.115936
C 1.799937 0.417138 0.953985
C 0.972885 -1.244605 -0.840761
C 0.005432 1.733396 -1.605815
C -2.758395 -0.263042 2.002161
C -2.557593 1.855018 -0.320360
C 2.652421 -0.490807 1.636998
C 2.206972 -1.170482 -1.533147
C 2.064227 1.805071 1.044470
C 0.057040 -2.274301 -1.175305
C -1.004193 2.621567 -2.042379
C -2.266648 2.697995 -1.422165
C 3.751197 -0.017957 2.382894
C 2.524425 -2.113414 -2.535588
C 3.168357 2.278086 1.791576
C 0.377617 -3.218779 -2.174357
C -3.918243 -0.949152 1.275149
C 4.017001 1.370055 2.461486
C 1.611521 -3.142408 -2.860231
H 0.970170 1.683581 -2.118560
H -3.157227 0.647957 2.480537
H -2.408821 -0.948888 2.799577
H -3.541747 1.901579 0.156627
H 2.439866 -1.563734 1.591773
H 2.927407 -0.385604 -1.277477
H 1.413243 2.523241 0.536230
H -0.905933 -2.343752 -0.656185
H -3.019041 3.399319 -1.793715
H 4.397990 -0.731502 2.905333
H 3.484005 -2.045043 -3.060284
H 3.360972 3.355310 1.848829
H -0.334939 -4.015251 -2.416908
H 4.872033 1.736976 3.040261
H 1.859417 -3.876407 -3.635019
H -4.253223 -2.211056 -0.196812


