%chk=000050204.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050204

0 1
 Cl   7.385500       2.872000      -2.920100    
 O    2.087500      -4.484500      -1.668800    
 O   -3.023000      -1.093400       1.619300    
 O    3.653700       1.780100       2.455300    
 O   -1.608900     -7.3500000E-02  6.1400000E-02
 O   -7.759400       2.923600     -0.3681000    
 N    2.593800      0.1953000       1.235300    
 N   -7.322100      0.8117000      -1.320900    
 C   0.6633000     -0.9284000       1.493300    
 C    1.465300      -1.650600      0.5791000    
 C    1.366300      0.1881000       1.870500    
 C    2.663900     -0.9409000      0.4217000    
 C  -0.6898000      -1.305000       1.955300    
 C    1.270300      -2.852800     -0.1327000    
 C    3.676500      -1.422100     -0.4305000    
 C   0.9196000       1.242500       2.811800    
 C    3.569700       1.206300       1.374400    
 C    2.274200      -3.323700     -0.9811000    
 C    3.460900      -2.616600      -1.125500    
 C   -1.790300     -0.7343000       1.075400    
 C    4.510700       1.617400      0.3146000    
 C    5.767900       2.108400      0.6573000    
 C    4.137400       1.511900      -1.022700    
 C    6.657900       2.496700     -0.3441000    
 C    5.027600       1.900200      -2.024200    
 C   -4.105000     -0.6130000      0.8780000    
 C   0.8466000      -5.160600      -1.474900    
 C    6.287700       2.392500      -1.684900    
 C   -4.620900      0.6260000       1.187100    
 C   -4.615200      -1.397800     -0.1325000    
 C   -6.240300      0.3327000     -0.5816000    
 C   -5.702500       1.105000      0.4478000    
 C   -5.696600     -0.9187000     -0.8718000    
 C   -7.995700       2.032200      -1.177100    
 C   -9.116700       2.173200      -2.176000    
 H  -0.7972000      -2.396000       1.956400    
 H  -0.8570000     -0.9638000       2.983000    
 H   0.3262000      -3.362200      1.7899999E-02
 H    4.646100     -0.9466000     -0.5131000    
 H    1.124600       2.242100       2.414400    
 H    1.422900       1.134900       3.777800    
 H  -0.1585000       1.203400       2.994800    
 H    4.246000      -2.999400      -1.773500    
 H    6.077700       2.191600       1.695600    
 H    3.144900       1.185800      -1.319700    
 H    7.637100       2.877300     -6.4999998E-02
 H    4.721300       1.824600      -3.064400    
 H   0.8692000      -6.061100      -2.097500    
 H   0.7264000      -5.493200     -0.4383000    
 H   1.9999999E-04  -4.556600      -1.819200    
 H   -4.201800       1.225600       1.989200    
 H   -4.192500      -2.371900     -0.3576000    
 H   -6.068900       2.081700      0.7314000    
 H   -6.105600      -1.531500      -1.671200    
 H   -7.656700      0.1896000      -2.053800    
 H   -8.711000       2.154300      -3.191500    
 H   -9.636700       3.122100      -2.018300    
 H   -9.830000       1.353500      -2.051800    


%chk=000050204-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050204

0 1
Cl 7.206772 1.642616 -3.943186
O 0.026804 -3.730106 -1.243525
O -2.451193 -0.180847 1.666715
O 4.898861 1.082315 2.432898
O -1.632237 2.007455 1.983256
O -7.751933 -1.654646 -1.972532
N 2.955960 0.275966 1.401219
N -6.895550 0.524635 -1.789110
C 0.826123 -0.050275 2.188543
C 1.042575 -0.965707 1.076471
C 1.993748 0.681069 2.385383
C 2.372438 -0.760534 0.598857
C -0.458350 0.068694 2.978135
C 0.205899 -1.948101 0.489422
C 2.912232 -1.575959 -0.420346
C 2.269651 1.780534 3.369677
C 4.303883 0.742495 1.369702
C 0.738022 -2.730368 -0.558144
C 2.082776 -2.554377 -0.996737
C -1.550122 0.778108 2.177102
C 4.967419 0.884335 0.034147
C 6.382185 0.786048 -0.021236
C 4.245312 1.239354 -1.135895
C 7.070967 1.004582 -1.230546
C 4.923339 1.478588 -2.349053
C -3.557293 0.103100 0.803458
C -1.369632 -3.944458 -0.858189
C 6.326649 1.347995 -2.378276
C -4.328795 -1.035845 0.485878
C -3.889703 1.371522 0.272968
C -5.787617 0.331891 -0.915043
C -5.441661 -0.934611 -0.368682
C -5.004580 1.468654 -0.583077
C -7.801247 -0.425012 -2.271251
C -8.874952 0.134509 -3.202093
H -0.824082 -0.931106 3.269236
H -0.290967 0.657231 3.895611
H -0.817355 -2.078903 0.849752
H 3.941338 -1.469063 -0.769498
H 2.686616 2.675611 2.873704
H 3.006715 1.473271 4.130734
H 1.333223 2.080947 3.866987
H 2.453332 -3.202277 -1.796279
H 6.930999 0.548028 0.895391
H 3.156373 1.340218 -1.099652
H 8.159804 0.918443 -1.281145
H 4.373641 1.761650 -3.250924
H -1.734622 -4.738395 -1.526028
H -1.449596 -4.277663 0.195561
H -1.972623 -3.026541 -1.003351
H -4.053028 -2.000558 0.923496
H -3.300425 2.253625 0.522854
H -6.044142 -1.808796 -0.619420
H -5.264982 2.451300 -0.997062
H -7.040186 1.486185 -2.104535
H -9.868559 -0.091009 -2.778124
H -8.810961 -0.384143 -4.174151
H -8.800661 1.222426 -3.374364


