%chk=000045854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045854

0 1
 Cl   5.377500       1.333100     -0.8031000    
 F   -5.771600      -2.105800     -0.1045000    
 F   -4.448200      -2.038700      -1.821500    
 F   -3.680000      -2.658000      0.1162000    
 O  -0.3238000       1.774500      0.5526000    
 N    4.682800      -1.462700     -0.4838000    
 C    3.809600     -0.9725000      0.5881000    
 C    2.897400      -2.142500      0.9908000    
 C    1.820700      -1.676400       1.960300    
 C    3.037400      0.2881000      0.2273000    
 C   0.9130000     -0.6614000       1.274700    
 C    1.679600      0.4365000      0.5800000    
 C   0.9976000       1.619100      0.2479000    
 C    3.691500       1.368900     -0.3921000    
 C    3.895000      -1.776600      -1.672300    
 C    5.426200      -2.635400     -3.2000002E-02
 C    1.657200       2.665900     -0.3916000    
 C    3.005600       2.543600     -0.7048000    
 C   -1.214600       2.006100     -0.5353000    
 C   -2.570600       1.470400     -0.1806000    
 C   -2.893400      0.1537000     -0.4899000    
 C   -3.492000       2.295300      0.4551000    
 C   -4.153800     -0.3443000     -0.1592000    
 C   -4.752100       1.797300      0.7857000    
 C   -5.083000      0.4775000      0.4787000    
 C   -4.507800      -1.755800     -0.4866000    
 H    4.423600     -0.7011000       1.459200    
 H    3.459300      -2.928600       1.508400    
 H    2.371500      -2.613700      0.1552000    
 H    2.287200      -1.229000       2.847200    
 H    1.224900      -2.529000       2.305800    
 H   0.2441000     -0.2388000       2.033900    
 H   0.2902000      -1.170500      0.5284000    
 H    3.231300     -0.9690000      -1.996000    
 H    3.311900      -2.700600      -1.608300    
 H    4.588100      -1.924300      -2.510600    
 H    6.237100      -2.834600     -0.7433000    
 H    4.836200      -3.556700      2.6600000E-02
 H    5.912700      -2.457600      0.9341000    
 H    1.138300       3.588700     -0.6356000    
 H    3.510700       3.375500      -1.189500    
 H  -0.8559000       1.523700      -1.455000    
 H   -1.272600       3.083500     -0.7327000    
 H   -2.168800     -0.4886000     -0.9842000    
 H   -3.244000       3.324100      0.7011000    
 H   -5.475400       2.437100       1.282900    
 H   -6.069500      0.1079000      0.7446000    


%chk=000045854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045854

0 1
Cl 5.480797 1.554949 -0.558288
F -6.623818 -1.467170 -0.750827
F -5.529710 -0.798613 -2.622819
F -4.557002 -2.281283 -1.219690
O -0.474289 0.885062 0.077246
N 4.810484 -1.555878 -0.453908
C 4.100568 -0.969993 0.720793
C 3.413361 -2.045381 1.626238
C 2.140724 -1.533349 2.326254
C 3.156811 0.140433 0.237097
C 1.135253 -1.045814 1.262844
C 1.748089 0.061462 0.417344
C 0.910499 1.071821 -0.138578
C 3.675184 1.283966 -0.426006
C 3.975654 -2.254655 -1.440748
C 6.052121 -2.264533 -0.114790
C 1.450450 2.171684 -0.840085
C 2.852490 2.282830 -0.966686
C -1.385294 1.914140 -0.467941
C -2.796756 1.496225 -0.123407
C -3.408900 0.424998 -0.812399
C -3.518300 2.161961 0.897967
C -4.724967 0.030597 -0.479981
C -4.834079 1.767307 1.225299
C -5.445374 0.698657 0.536580
C -5.350818 -1.102201 -1.242127
H 4.894446 -0.470627 1.313739
H 4.146326 -2.418845 2.365152
H 3.127696 -2.911572 0.996838
H 2.384639 -0.699552 3.014353
H 1.690842 -2.340442 2.935512
H 0.205584 -0.671615 1.724580
H 0.835849 -1.900998 0.621442
H 3.111353 -1.625275 -1.716218
H 3.585628 -3.248979 -1.103291
H 4.570720 -2.428758 -2.356289
H 6.614717 -2.481082 -1.041903
H 5.898334 -3.236077 0.419346
H 6.684825 -1.619287 0.521986
H 0.815404 2.949365 -1.272486
H 3.296187 3.142679 -1.475889
H -1.241714 1.976248 -1.566368
H -1.144596 2.900676 -0.023395
H -2.856478 -0.105912 -1.595380
H -3.045424 2.987648 1.442151
H -5.382668 2.288565 2.015981
H -6.463747 0.384915 0.783059


