%chk=000056090.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056090

0 1
 Cl   5.231200      0.8381000       2.356800    
 O   -4.610300      -1.983800      -1.065900    
 O   -2.215900       1.836900     -4.0800001E-02
 N   -3.091600     -0.2772000     -0.5465000    
 N    1.004200      -1.442300      0.4949000    
 N    3.631700     -0.4037000      7.3700003E-02
 C   -5.220100      0.3734000      -1.191300    
 C   -4.598900       1.487300     -0.3416000    
 C   -6.708900      0.1163000     -0.9827000    
 C   -5.111400       1.564000       1.105900    
 C   -4.312800     -0.8085000     -0.9155000    
 C   -3.140300       1.083500     -0.3102000    
 C   -1.883100      -1.061500     -0.3864000    
 C   -1.385600      -1.082600       1.057700    
 C  -0.1287000      -1.928300       1.281500    
 C   -7.212600      0.4142000      0.3916000    
 C   -6.500700       1.059200       1.321000    
 C    1.318900     -5.2700002E-02  0.8496000    
 C    2.182300      -2.291300      0.7098000    
 C    2.466500      0.4862000     -7.4000000E-03
 C    3.359800      -1.826700     -0.1511000    
 C    4.885800      0.1235000     -0.2539000    
 C    5.727100      0.7256000      0.7059000    
 C    5.345500      6.1200000E-02  -1.585400    
 C    6.972500       1.242400      0.3487000    
 C    6.590900      0.5779000      -1.942700    
 C    7.404300       1.168600     -0.9756000    
 H   -5.060600      0.6022000      -2.255800    
 H   -4.709300       2.454000     -0.8453000    
 H   -6.956800     -0.9219000      -1.231500    
 H   -7.276700      0.7467000      -1.678700    
 H   -5.068200       2.612000       1.428700    
 H   -4.449500       1.017500       1.790600    
 H   -1.125300     -0.6065000      -1.034200    
 H   -2.061900      -2.082300     -0.7411000    
 H   -2.183000      -1.523200       1.673300    
 H   -1.269900     -7.2899997E-02   1.463500    
 H  -0.3560000      -2.963100      0.9951000    
 H   0.1082000      -1.937600       2.353500    
 H    1.582200      2.8899999E-02   1.912800    
 H   0.4776000      0.6207000      0.6642000    
 H    1.951900      -3.329600      0.4422000    
 H    2.477700      -2.284300       1.767800    
 H   -8.221900      9.2200004E-02  0.6327000    
 H   -6.945100       1.229000       2.297800    
 H    2.148900      0.5757000      -1.054300    
 H    2.724300       1.493000      0.3438000    
 H    4.241300      -2.426800      0.1063000    
 H    3.138900      -1.998900      -1.212000    
 H    4.726100     -0.3896000      -2.357900    
 H    7.618600       1.705900       1.090000    
 H    6.926800      0.5218000      -2.973900    
 H    8.373800       1.571300      -1.254100    


%chk=000056090-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056090

0 1
Cl 4.493545 1.830456 2.101940
O -4.719329 -2.139089 -0.857736
O -1.932948 1.575410 -0.235727
N -3.063170 -0.472987 -0.573197
N 0.964594 -1.590855 0.406874
N 3.567470 -0.373601 0.052162
C -5.257791 0.310957 -1.057290
C -4.437528 1.463830 -0.406278
C -6.744782 0.149359 -0.646590
C -4.840956 1.760014 1.071945
C -4.381936 -0.931817 -0.811767
C -2.997879 0.932686 -0.416282
C -1.887014 -1.351980 -0.448853
C -1.487169 -1.581255 1.025777
C -0.119750 -2.286842 1.144529
C -7.188712 1.048765 0.488487
C -6.344524 1.781604 1.257533
C 1.243358 -0.221363 0.918914
C 2.207313 -2.400078 0.387094
C 2.331265 0.452934 0.071855
C 3.297169 -1.728609 -0.468931
C 4.814036 0.233669 -0.227381
C 5.360850 1.277061 0.581500
C 5.632996 -0.202180 -1.315521
C 6.602648 1.877087 0.313273
C 6.892412 0.372593 -1.580626
C 7.381666 1.426675 -0.777668
H -5.219679 0.460878 -2.156148
H -4.508015 2.398324 -0.986239
H -6.918067 -0.913338 -0.377505
H -7.397791 0.334188 -1.521223
H -4.386684 2.719043 1.378707
H -4.402511 0.988115 1.740358
H -1.041749 -0.885274 -0.983069
H -2.137685 -2.308428 -0.940027
H -2.250485 -2.200776 1.533006
H -1.459950 -0.607446 1.548450
H -0.199022 -3.309586 0.725189
H 0.128166 -2.400271 2.231737
H 1.576691 -0.247086 1.986355
H 0.326065 0.388739 0.848574
H 1.975482 -3.394966 -0.038804
H 2.614194 -2.551523 1.419345
H -8.269112 1.084145 0.682928
H -6.743140 2.399515 2.072502
H 1.951408 0.579370 -0.967700
H 2.551165 1.449108 0.482378
H 4.220331 -2.331890 -0.411994
H 2.955562 -1.702062 -1.530930
H 5.255247 -0.990614 -1.974061
H 6.968756 2.670057 0.972425
H 7.483098 0.006718 -2.427812
H 8.353790 1.886513 -0.980878


