%chk=000050895.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050895

0 1
 Cl  -3.563700       3.259300      0.6045000    
 F   -6.142000      -1.266300      0.1997000    
 F   -4.938300      -2.398200      -1.205200    
 F   -4.687600      -2.707200      0.9326000    
 O    4.287300      0.2493000     -0.7071000    
 O  -0.8314000       2.114400      0.1306000    
 O    5.931300      -2.278800       1.259200    
 O    6.213600     -2.9500000E-02   1.145400    
 N   -1.492100     -8.0399998E-02 -0.1303000    
 C    4.566800      -1.087800     -0.2947000    
 C    3.023500      0.7100000     -0.4999000    
 C   0.4331000       1.655000     -7.6300003E-02
 C    2.247400       1.126900      -1.581500    
 C    2.504200      0.7656000      0.7936000    
 C   0.9522000       1.599500      -1.369700    
 C    1.208900       1.238100       1.005300    
 C    5.014000      -1.871800      -1.516000    
 C   -3.828500     -0.6801000      3.4699999E-02
 C   -1.863800       1.192000      0.1030000    
 C   -4.160600      0.6492000      0.2723000    
 C   -3.160100       1.614000      0.3088000    
 C    5.652600      -1.047100      0.7600000    
 C   -2.491900     -0.9901000     -0.1586000    
 C   -4.875000      -1.736100     -1.0400000E-02
 H    3.683600      -1.568800      0.1454000    
 H    2.646500       1.085300      -2.591200    
 H    3.099700      0.4536000       1.647200    
 H   0.3538000       1.923100      -2.217100    
 H   0.8119000       1.281400       2.016000    
 H    5.916700      -1.431300      -1.954600    
 H    4.240700      -1.851600      -2.291400    
 H    5.232100      -2.915300      -1.268600    
 H   -5.197600      0.9353000      0.4295000    
 H   -2.172200      -2.010200     -0.3480000    
 H    6.628900      -2.244800       1.948000    


%chk=000050895-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050895

0 1
Cl -2.834159 2.624020 2.267637
F -6.858377 -0.599264 0.513763
F -6.523448 0.272714 -1.547612
F -5.979587 -1.890419 -1.142563
O 4.161573 -0.774043 -1.280892
O -0.733147 1.021897 0.867574
O 6.206789 -0.082738 1.573954
O 6.100375 1.258119 -0.328293
N -2.163632 -0.406396 -0.386984
C 5.299711 -1.102652 -0.414123
C 2.961742 -0.346449 -0.676456
C 0.466346 0.484318 0.289318
C 1.914904 -0.047399 -1.582396
C 2.760051 -0.218822 0.719634
C 0.661809 0.374149 -1.105140
C 1.499487 0.203267 1.198459
C 6.349418 -1.754826 -1.323552
C -4.570536 -0.179385 -0.166564
C -1.992219 0.609209 0.489699
C -4.397118 0.885673 0.757520
C -3.098582 1.282579 1.090294
C 5.883665 0.168020 0.229948
C -3.424892 -0.796030 -0.712588
C -5.947983 -0.597209 -0.575175
H 4.986086 -1.796029 0.388748
H 2.104265 -0.146224 -2.654905
H 3.554561 -0.432110 1.440415
H -0.146256 0.599474 -1.803735
H 1.318075 0.321018 2.270610
H 6.643581 -1.053932 -2.122085
H 5.923332 -2.661988 -1.782680
H 7.243811 -2.036940 -0.741272
H -5.258942 1.382922 1.211307
H -3.509824 -1.627961 -1.417735
H 6.643121 0.720034 1.971068


