%chk=000086222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086222

0 1
 Cl   5.517800      -1.250200     -0.7299000    
 Cl   4.047900       2.925100     -6.3800000E-02
 F  -0.8754000       3.336700      0.9837000    
 F   -5.095100      -1.128700      -1.564300    
 F   -4.753400      -2.035200      0.3889000    
 O    2.218700      -1.854600       1.071100    
 O   -1.172100      -1.265600      -1.093300    
 O    3.168200      -3.030700     -0.6699000    
 N   -1.482900      0.8395000     -6.6000000E-02
 N   -3.252400     -0.4610000     -0.3598000    
 N   -2.574200       1.509800      0.4340000    
 C    2.161500       1.035200     -0.6098000    
 C    3.234900      0.1747000      -1.194700    
 C  -0.1869000       1.321500     -6.8999998E-02
 C   0.8531000      0.5516000     -0.6061000    
 C    3.891600     -0.7603000     -0.1680000    
 C   -1.883900     -0.4159000     -0.5766000    
 C    2.441600       2.293400     -7.6399997E-02
 C   -3.573900      0.7037000      0.2366000    
 C   0.1049000       2.583900      0.4645000    
 C    1.413200       3.067700      0.4608000    
 C   -4.130500      -1.559400     -0.7161000    
 C   -4.978400       1.020100      0.6268000    
 C    3.082300      -2.027200      2.6100000E-02
 C    1.355200      -2.961500       1.347700    
 C   0.4681000      -2.612800       2.523900    
 H    3.986300      0.8035000      -1.687400    
 H    2.813200     -0.4178000      -2.019600    
 H   0.7221000     -0.4266000      -1.041200    
 H    4.051600     -0.2714000      0.7986000    
 H    1.614400       4.050000      0.8804000    
 H   -3.571800      -2.371000      -1.190400    
 H   -5.028900       2.004900       1.098800    
 H   -5.346100      0.2673000       1.329100    
 H   -5.618400       1.014800     -0.2596000    
 H   0.7371000      -3.170700      0.4675000    
 H    1.958100      -3.844300       1.587500    
 H  -0.2068000      -3.439200       2.763500    
 H    1.072100      -2.380800       3.407200    
 H  -0.1289000      -1.721200       2.304000    


%chk=000086222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086222

0 1
Cl 5.265657 -1.490644 -1.069286
Cl 4.009296 3.125754 0.298470
F -1.052097 3.314610 1.297965
F -4.911486 -1.872775 -1.022514
F -5.243278 -1.241874 1.138402
O 2.540800 -2.230803 1.097370
O -1.300266 -1.365345 0.613212
O 1.961119 -2.217569 -1.162830
N -1.609689 0.915959 -0.130944
N -3.402234 -0.365841 -0.033092
N -2.711991 1.725837 -0.543624
C 2.116572 1.243363 -0.599466
C 3.247235 0.451340 -1.243240
C -0.292361 1.448988 -0.068150
C 0.780741 0.776080 -0.688929
C 3.708429 -0.693592 -0.319040
C -1.982924 -0.395653 0.202868
C 2.328026 2.446296 0.120072
C -3.775180 0.927316 -0.474136
C -0.018679 2.641925 0.639872
C 1.279702 3.161668 0.730460
C -4.211820 -1.511256 0.177291
C -5.167894 1.337117 -0.820816
C 2.653684 -1.796227 -0.206822
C 1.469180 -3.257804 1.362168
C 1.562073 -3.610666 2.841408
H 4.111083 1.103930 -1.447639
H 2.912375 0.004922 -2.195372
H 0.580713 -0.145609 -1.244531
H 4.027713 -0.348208 0.674166
H 1.459052 4.085569 1.285037
H -3.604686 -2.364030 0.519934
H -5.159647 2.394441 -1.125286
H -5.843815 1.214308 0.043660
H -5.568694 0.724185 -1.647204
H 0.502958 -2.800934 1.087016
H 1.662740 -4.121780 0.701797
H 0.791917 -4.363865 3.088746
H 2.551453 -4.030494 3.091168
H 1.388123 -2.721339 3.470637


