%chk=000077558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077558

0 1
 Cl   3.664900      -3.456200       1.942300    
 S    1.680000       2.599400      -2.295300    
 P    2.041000       2.304000     -0.4045000    
 F  -0.4087000      -1.993300      -1.103600    
 F   -2.086400      -2.536200      0.1590000    
 F   -2.441800      -1.664000      -1.801000    
 O    2.683100      0.8839000      4.5800000E-02
 O   0.7804000       2.448000      0.6042000    
 O   -5.090800      0.2705000      0.7154000    
 O   -4.086800      -1.449400     -0.2082000    
 N   -4.059000     -0.2971000      0.2852000    
 C    4.340900     -0.8362000      0.2244000    
 C    4.008800      0.5415000     -0.3336000    
 C    3.375800      -1.900400     -0.2993000    
 C  -0.4054000       1.768800      0.5233000    
 C   -1.640600     -0.2013000     -0.1063000    
 C    3.719200      -3.310200      0.1705000    
 C    3.170900       3.487100      0.3499000    
 C  -0.4320000      0.4904000     -2.4000000E-02
 C   -2.815700      0.3892000      0.3590000    
 C   -1.573200       2.363300      0.9896000    
 C   -2.781800       1.671600      0.9072000    
 C   -1.642700      -1.573200     -0.6999000    
 H    4.282500     -0.7880000       1.317400    
 H    5.370800      -1.097600     -4.3699998E-02
 H    4.089100      0.5456000      -1.425100    
 H    4.711300       1.273600      7.3500000E-02
 H    2.350200      -1.664100      8.2999999E-03
 H    3.385300      -1.889700      -1.396100    
 H    3.006900      -4.031100     -0.2418000    
 H    4.723600      -3.596300     -0.1562000    
 H    2.741800       4.492900      0.3118000    
 H    3.349600       3.231400       1.398400    
 H    4.130300       3.508200     -0.1741000    
 H   0.4722000      1.7500000E-02 -0.3861000    
 H   -1.550800       3.361900       1.416800    
 H   -3.674700       2.166300       1.280800    


%chk=000077558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077558

0 1
Cl 4.776605 -2.800657 2.428219
S 1.926053 2.958892 -2.295535
P 2.325109 2.599805 -0.307971
F 0.033476 -1.635955 -1.776571
F -1.844637 -2.537553 -0.921489
F -1.944273 -1.153650 -2.733336
O 3.195126 1.140353 0.058440
O 0.897659 2.464723 0.781933
O -4.720044 -0.425701 1.071270
O -4.149376 -1.105150 -1.031128
N -3.896157 -0.504236 0.078677
C 4.046818 -1.096854 -0.321717
C 3.555203 0.171020 -1.021877
C 2.949446 -1.807263 0.497819
C -0.235498 1.694322 0.543668
C -1.437354 -0.156358 -0.540170
C 3.408999 -3.112235 1.144795
C 3.203277 3.842743 0.735646
C -0.266383 0.609130 -0.365045
C -2.589506 0.185294 0.222210
C -1.383383 2.016330 1.305758
C -2.549387 1.254368 1.145810
C -1.339451 -1.347194 -1.481808
H 4.898821 -0.845543 0.335877
H 4.433507 -1.777358 -1.108136
H 2.674778 -0.024957 -1.664628
H 4.346224 0.626006 -1.645255
H 2.562788 -1.121765 1.273345
H 2.095821 -2.062805 -0.166371
H 2.604707 -3.604519 1.711215
H 3.856212 -3.813913 0.423158
H 2.608603 4.767055 0.773679
H 3.321710 3.420644 1.745177
H 4.188551 4.043249 0.288777
H 0.627054 0.343416 -0.930168
H -1.341512 2.853259 2.007368
H -3.451388 1.473854 1.722360


