%chk=000052715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052715

0 1
 Cl   9.966300      -2.830400      0.6694000    
 F   -8.971100      -1.232800      0.2411000    
 F   -7.997700     -0.5250000       2.045300    
 F   -8.267000      0.8212000      0.3590000    
 O    2.129300       1.096500     -0.4744000    
 O    5.696300       1.102000     -0.2951000    
 O    3.604600       2.606900      0.4589000    
 N   -1.409800       2.035000     -0.1322000    
 C   -2.653000       1.391700     -0.5679000    
 C   -2.973000      0.2075000      0.3625000    
 C   -4.219800     -0.5489000     -2.8600000E-02
 C   -3.761300       2.444600     -0.5782000    
 C  -0.2574000       1.243700     -0.5298000    
 C   -5.457700     -0.1697000      0.4907000    
 C   -4.133800      -1.626300     -0.9103000    
 C    1.032600       1.911000     -8.0499999E-02
 C   -6.609500     -0.8679000      0.1280000    
 C   -5.285600      -2.324500      -1.272900    
 C   -6.523400      -1.945200     -0.7538000    
 C   -7.933100     -0.4621000      0.6824000    
 C    3.371900       1.565300     -0.1392000    
 C    4.417800      0.5961000     -0.6237000    
 C    6.693800      0.1841000     -7.0699997E-02
 C    6.671000      -1.045500     -0.7288000    
 C    7.728500      0.4816000      0.8162000    
 C    7.683000      -1.977800     -0.4998000    
 C    8.740400     -0.4508000       1.045200    
 C    8.717700      -1.680400      0.3872000    
 H   -2.549000       1.035400      -1.601800    
 H   -2.150800     -0.5164000      0.3944000    
 H   -3.082000      0.5610000       1.397600    
 H   -1.332500       2.961100     -0.5524000    
 H   -3.992800       2.797400      0.4330000    
 H   -4.680500       2.056100      -1.027300    
 H   -3.470900       3.315700      -1.177700    
 H  -0.2265000       1.114600      -1.619400    
 H  -0.2746000      0.2369000     -0.1001000    
 H   -5.529200      0.6668000       1.181800    
 H   -3.175500      -1.929500      -1.323500    
 H    1.039800       2.025100       1.010400    
 H    1.130600       2.900200     -0.5443000    
 H   -5.218600      -3.163000      -1.960100    
 H   -7.409200      -2.501100      -1.048400    
 H    4.212800     -0.3578000     -0.1222000    
 H    4.332300      0.5018000      -1.711200    
 H    5.897000      -1.304300      -1.445200    
 H    7.750700       1.437800       1.331800    
 H    7.655900      -2.930000      -1.023500    
 H    9.540300     -0.2054000       1.739100    


%chk=000052715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052715

0 1
Cl 10.732418 -2.382704 -0.462948
F -9.258024 -0.989681 -0.262327
F -8.444929 -1.171152 1.843551
F -8.416545 0.835705 0.797964
O 2.122152 0.867826 0.023652
O 5.724129 0.872059 0.364258
O 3.537227 2.461072 0.989095
N -1.420014 1.997780 -0.295753
C -2.721563 1.414950 -0.704791
C -3.241139 0.455646 0.416478
C -4.435899 -0.378637 -0.010319
C -3.722171 2.553797 -0.978855
C -0.223459 1.162870 -0.512163
C -5.739503 -0.084166 0.454190
C -4.272489 -1.466522 -0.910019
C 0.939291 1.735109 0.304062
C -6.846577 -0.855135 0.027996
C -5.377805 -2.233783 -1.336396
C -6.675256 -1.933989 -0.868898
C -8.208770 -0.550789 0.580290
C 3.364061 1.360619 0.438618
C 4.412595 0.303178 0.103716
C 6.836626 0.040655 0.143274
C 6.766726 -1.294410 -0.326146
C 8.090834 0.636322 0.426770
C 7.960230 -2.031839 -0.510492
C 9.277492 -0.098060 0.242884
C 9.195696 -1.427159 -0.224800
H -2.612801 0.812165 -1.640911
H -2.409050 -0.213327 0.708742
H -3.481361 1.073902 1.300300
H -1.298358 2.952270 -0.657526
H -3.817410 3.200655 -0.086580
H -4.719879 2.153483 -1.225014
H -3.390337 3.179463 -1.828883
H 0.081899 1.079775 -1.582404
H -0.434135 0.136467 -0.160741
H -5.893318 0.750981 1.146330
H -3.267625 -1.718360 -1.271103
H 0.721382 1.710449 1.385451
H 1.185771 2.774388 0.017408
H -5.231821 -3.068679 -2.029575
H -7.538177 -2.521237 -1.196698
H 4.226572 -0.591424 0.733924
H 4.297551 0.006548 -0.958171
H 5.810834 -1.775158 -0.552753
H 8.114428 1.668107 0.788584
H 7.919129 -3.063147 -0.872345
H 10.248670 0.355419 0.460075


