%chk=000155641.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155641

0 1
 Cl   6.460500       2.963400     -0.4194000    
 F   -5.013700      -1.598200      -1.455900    
 F   -7.608100      0.6920000       1.797300    
 F    8.550300      -1.750600      0.4185000    
 F    7.028000      -2.766800       1.582000    
 F    7.137800      -3.077900     -0.5674000    
 O    3.603900       2.046700     -0.4479000    
 O   -2.394700      0.8128000       1.701300    
 O   -5.069600      0.1653000       2.100400    
 N   -1.750500      0.6056000     -0.5481000    
 N   -3.914100      0.1359000      7.8400001E-02
 N    4.027600     -0.1910000     -8.0499999E-02
 C  -0.3849000      0.9734000     -0.5231000    
 C    2.290000       1.692700     -0.4721000    
 C   0.3416000      0.9669000      -1.702600    
 C   0.1981000       1.332000      0.6813000    
 C    1.688400       1.329100      -1.676900    
 C    1.544900       1.694300      0.7070000    
 C    4.536800       1.044700     -0.2391000    
 C    6.299600     -0.9787000      0.1705000    
 C   -6.279800     -0.4429000      0.1882000    
 C    5.878900       1.358700     -0.2094000    
 C    6.775300      0.3168000      8.9999998E-04
 C   -2.643400      0.5502000      0.5274000    
 C   -5.062500     -3.7799999E-02  0.8741000    
 C    4.929300      -1.178000      0.1217000    
 C   -6.203600      -1.219600     -0.9678000    
 C   -7.523100     -5.4299999E-02  0.6867000    
 C    7.232300      -2.114900      0.3975000    
 C   -7.370800      -1.607800      -1.625400    
 C   -8.690400     -0.4427000      2.9200001E-02
 C   -8.614200      -1.219300      -1.126900    
 H  -0.1172000      0.6855000      -2.646200    
 H  -0.3094000       1.358700       1.634000    
 H    2.262400       1.326900      -2.599600    
 H    2.008000       1.978000       1.648400    
 H   -2.118200      0.3529000      -1.461900    
 H    7.843600      0.5169000      3.2200001E-02
 H    4.499300      -2.166900      0.2475000    
 H   -3.998100     -2.5900001E-02 -0.9211000    
 H   -7.311200      -2.212500      -2.525600    
 H   -9.658400     -0.1402000      0.4176000    
 H   -9.523100      -1.521600      -1.638900    


%chk=000155641-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155641

0 1
Cl 5.987980 2.819535 1.292169
F -5.439066 -1.838865 -1.128216
F -8.105956 1.796749 0.693820
F 9.358276 -1.299046 0.097367
F 8.156043 -2.766306 -1.161060
F 8.927634 -0.840073 -2.076045
O 3.578625 1.270586 0.522796
O -2.945812 1.988293 1.151605
O -5.673151 1.049935 1.797738
N -1.951972 0.122124 0.101776
N -4.270627 0.352794 0.044918
N 4.658274 -0.636071 -0.434955
C -0.565314 0.422958 0.216865
C 2.213948 0.877489 0.364105
C 0.354653 -0.530921 -0.290575
C -0.074267 1.618722 0.809396
C 1.746099 -0.319831 -0.223068
C 1.312812 1.837065 0.874200
C 4.705769 0.576471 0.168743
C 7.085793 -0.699265 -0.492044
C -6.700286 -0.004773 -0.131981
C 5.951080 1.211648 0.476970
C 7.145970 0.570758 0.143769
C -3.032313 0.917305 0.508198
C -5.521669 0.522970 0.671850
C 5.822353 -1.262156 -0.760172
C -6.679091 -1.162441 -0.947137
C -7.974844 0.618124 -0.038225
C 8.348906 -1.392129 -0.896061
C -7.792474 -1.706243 -1.599946
C -9.127870 0.126190 -0.674200
C -9.033001 -1.046853 -1.452352
H -0.014040 -1.457234 -0.749626
H -0.774541 2.348940 1.216988
H 2.449350 -1.055026 -0.611405
H 1.712607 2.748972 1.326728
H -2.170624 -0.808742 -0.262020
H 8.106004 1.038116 0.379781
H 5.728924 -2.240608 -1.239855
H -4.249795 -0.224229 -0.800394
H -7.683063 -2.613111 -2.199645
H -10.071225 0.665235 -0.555983
H -9.922497 -1.445257 -1.948516


