%chk=000077442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077442

0 1
 S    2.276400     -0.2345000     -0.1862000    
 P    7.285900       1.718200     -0.8012000    
 F   -1.405900      -2.757400      -1.292000    
 F  -0.2938000     -0.9374000      -1.700500    
 F  -7.3600002E-02  -3.213000      0.9627000    
 F    1.164100      -3.028000     -0.8121000    
 F   -1.157400      6.0800001E-02  0.8088000    
 F   -2.288900      -1.777000       1.081600    
 F   0.6511000     -0.7040000       1.784100    
 F    2.223000      -2.177800       1.523700    
 F   -3.602600      -1.383600      -1.237700    
 F   -2.484100      0.4458000      -1.618100    
 F   -3.352600       1.431400      0.8669000    
 F   -4.486500     -0.4068000       1.153400    
 F   -4.697700       1.816300      -1.554100    
 F   -5.809500     -1.4100000E-02  -1.169400    
 F   -6.751800       1.001700       1.185800    
 F   -7.149600       2.260700     -0.5502000    
 F   -5.618500       2.843000      0.8793000    
 O    2.803700     -0.9678000      -1.321600    
 O    1.454400      0.9423000     -0.3975000    
 O    6.176500       1.047700      0.1650000    
 O    8.512100      0.6670000     -0.7203000    
 O    6.693500       1.484900      -2.287700    
 O    7.644500       3.137100     -0.4687000    
 N    3.574300      0.1927000      0.8541000    
 C  -0.7607000      -1.714300     -0.6929000    
 C   0.4188000      -2.303000      7.1099997E-02
 C   -1.778500     -0.9396000      0.1339000    
 C    1.354200      -1.380000      0.8389000    
 C   -2.961300     -0.3481000     -0.6251000    
 C   -3.978200      0.4261000      0.2017000    
 C    4.742700     -0.7172000      0.9320000    
 C   -5.157700       1.015600     -0.5578000    
 C    3.271500      0.8346000       2.156200    
 C    5.785000     -0.2957000     -8.7600000E-02
 C   -6.171000       1.784500      0.2528000    
 C    3.947900       2.188800       2.228400    
 H    5.194300     -0.6830000       1.930200    
 H    4.442000      -1.754900      0.7582000    
 H    2.194100       1.002500       2.249900    
 H    3.557000      0.2003000       3.001500    
 H    5.387800     -0.3689000      -1.103900    
 H    6.658000     -0.9510000     -8.7000001E-03
 H    5.036300       2.086600       2.267200    
 H    3.695200       2.806700       1.360400    
 H    3.633300       2.721900       3.131200    
 H    9.360700      0.8932000      -1.157200    
 H    7.170500       1.868400      -3.054200    


%chk=000077442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077442

0 1
S 2.314210 0.306578 0.020648
P 8.074465 1.528731 -0.546498
F -1.545739 -2.603518 -1.294541
F -0.382115 -0.644973 -1.543822
F -0.292556 -3.179345 1.072954
F 1.088719 -2.810150 -0.702243
F -1.613053 0.546819 0.461103
F -2.313971 -1.408916 1.422581
F 0.415575 -0.528564 2.043078
F 2.141304 -1.981059 1.702259
F -4.124874 -1.886948 -0.469413
F -3.177259 -0.420616 -1.954181
F -3.943231 1.727071 -0.583205
F -4.325846 0.548582 1.339873
F -5.989431 -0.187361 -1.793093
F -6.505977 -0.627993 0.392602
F -6.557351 2.309887 0.790038
F -8.128286 1.307251 -0.508113
F -6.457543 2.487620 -1.476113
O 2.668920 -0.245373 -1.458292
O 1.496073 1.670709 0.294863
O 6.815207 0.716973 0.270813
O 8.743939 0.204674 -1.402625
O 7.362777 2.362893 -1.888144
O 8.975320 2.407621 0.406997
N 3.877476 0.371352 0.935287
C -0.942249 -1.530635 -0.596554
C 0.244726 -2.160497 0.232713
C -2.074375 -0.760996 0.191353
C 1.141742 -1.214473 1.063297
C -3.444949 -0.654008 -0.587988
C -4.398974 0.492370 -0.069984
C 4.858788 -0.674611 0.548173
C -5.913219 0.312492 -0.473247
C 3.773479 0.845268 2.345229
C 5.891111 -0.187965 -0.469266
C -6.771775 1.632825 -0.417793
C 4.939856 1.790008 2.689405
H 5.370058 -1.016922 1.466124
H 4.347645 -1.550896 0.104217
H 2.817870 1.392162 2.443840
H 3.750283 -0.022460 3.036035
H 5.409761 0.355307 -1.300821
H 6.473744 -1.041131 -0.861551
H 5.918191 1.309872 2.527476
H 4.901319 2.696871 2.063857
H 4.858724 2.085577 3.751605
H 9.387366 0.429544 -2.119928
H 7.173025 3.322051 -1.724707


