%chk=000178902.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178902

0 1
 Cl   4.880700      -2.457300      0.5900000    
 F    3.369200       1.324900      -1.186100    
 F    4.767800      0.6103000      0.3097000    
 F    4.676700     -0.3529000      -1.637800    
 O   -3.194000       2.406300     -0.6085000    
 O   -3.982700      -3.302800     -0.3749000    
 O   -4.822500       1.119300      0.2924000    
 O   -5.220600      -1.408700     -0.3984000    
 N  -0.7975000     -0.9454000      7.8199998E-02
 N   -1.720300      -1.911300     -6.8599999E-02
 C   -1.315000      0.3192000      9.5100001E-02
 C   0.5490000      -1.294700      0.1960000    
 C   -2.674500      0.1640000     -5.1899999E-02
 C  -0.5236000       1.516500      0.2420000    
 C   -2.865000      -1.227500     -0.1476000    
 C    1.525700     -0.4225000     -0.2656000    
 C   0.8923000      -2.510400      0.7721000    
 C    2.870900     -0.7725000     -0.1489000    
 C  -0.2628000       2.029600       1.512500    
 C  -2.0099999E-02   2.161600     -0.8875000    
 C    2.237600      -2.860300      0.8889000    
 C    3.226900      -1.991400      0.4283000    
 C   -3.646800       1.217100     -9.3300000E-02
 C    3.900300      0.1857000     -0.6544000    
 C   -4.102300      -1.937400     -0.3129000    
 C   0.5015000       3.187900       1.653600    
 C   0.7443000       3.319800     -0.7465000    
 C    1.005000       3.832900      0.5241000    
 H    1.326300      0.4159000     -0.8969000    
 H   0.1456000      -3.203300       1.150700    
 H  -0.6479000       1.538400       2.402900    
 H  -0.2310000       1.789200      -1.887900    
 H    2.498900      -3.812600       1.343500    
 H   0.7048000       3.587400       2.642900    
 H    1.133100       3.824300      -1.626200    
 H    1.599600       4.735100      0.6338000    
 H   -3.897600       3.089900     -0.6123000    
 H   -4.855000      -3.737300     -0.4878000    


%chk=000178902-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178902

0 1
Cl 4.981646 -2.698335 0.826407
F 3.594595 1.071911 -1.406712
F 5.015543 0.428668 0.232591
F 4.887847 -0.761223 -1.694438
O -3.486912 2.271294 -1.117617
O -4.144459 -3.230986 0.149303
O -4.871451 1.083803 0.321444
O -5.047584 -1.585267 -1.227073
N -0.747032 -0.871584 0.089337
N -1.691254 -1.893506 -0.012508
C -1.313952 0.408168 -0.043893
C 0.624354 -1.264710 0.250754
C -2.691327 0.181939 -0.256402
C -0.552897 1.656914 0.194140
C -2.869327 -1.243857 -0.215903
C 1.673114 -0.502055 -0.303738
C 0.903642 -2.468798 0.938095
C 3.014498 -0.912897 -0.138893
C 0.148576 1.829257 1.419812
C -0.507243 2.684740 -0.783213
C 2.237761 -2.887261 1.094205
C 3.288562 -2.110159 0.568439
C -3.788169 1.174118 -0.295877
C 4.109746 -0.064699 -0.738625
C -4.119495 -1.992552 -0.493782
C 0.890602 3.004590 1.656325
C 0.242757 3.856743 -0.544040
C 0.945227 4.019663 0.672069
H 1.465761 0.406610 -0.871109
H 0.077705 -3.067756 1.328764
H 0.100808 1.049832 2.188641
H -1.060128 2.560428 -1.717954
H 2.466286 -3.813869 1.627098
H 1.423606 3.129080 2.604774
H 0.279484 4.640102 -1.308397
H 1.529266 4.928484 0.852843
H -4.248319 2.912878 -1.079761
H -4.984837 -3.702709 -0.102406


