%chk=000109961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109961

0 1
 S   -1.083900     -0.2294000     -0.7410000    
 F   0.5286000       1.718500     -0.1680000    
 F   0.3382000      0.2013000       1.385200    
 F    1.516300      -1.654300     -0.3116000    
 F    1.765600     -9.9900000E-02  -1.820600    
 F    3.078900       1.487200     -3.0000000E-03
 F    2.826600     -3.1199999E-02   1.536000    
 F    4.132300      -1.855200     -0.1501000    
 F    4.358100     -0.2590000      -1.612300    
 F    6.596500     -0.6744000     -0.1208000    
 F    5.690300       1.273000      0.2097000    
 F    5.483600     -0.2885000       1.718200    
 O   -1.030100      0.1314000      -2.145600    
 O   -1.253800      -1.616900     -0.3518000    
 O   -5.007000     -1.2700000E-02  0.5211000    
 O   -6.295200      -1.928400      0.6240000    
 N   -2.290300      0.7163000      3.0800000E-02
 C   0.4111000      0.3811000      4.0100001E-02
 C    1.661000     -0.3163000     -0.4844000    
 C    2.945000      0.1443000      0.1932000    
 C   -2.781200      0.2924000       1.364600    
 C    4.236900     -0.5065000     -0.2766000    
 C   -2.230600       2.191900     -0.1035000    
 C   -3.942800     -0.6700000       1.197300    
 C    5.512800     -5.6000002E-02  0.3894000    
 C   -3.632500       2.765800     -6.8400003E-02
 C   -6.124600     -0.7636000      0.3007000    
 C   -7.109100      8.0399998E-02 -0.4074000    
 C   -8.300600     -0.4213000     -0.7450000    
 H   -3.084000       1.144800       1.979800    
 H   -1.975400     -0.1994000       1.919600    
 H   -1.772200       2.460900      -1.060800    
 H   -1.621800       2.623500      0.6981000    
 H   -4.288000     -0.9929000       2.186600    
 H   -3.644600      -1.555400      0.6262000    
 H   -4.267200       2.301100     -0.8303000    
 H   -4.123900       2.648600      0.9009000    
 H   -3.596100       3.840200     -0.2786000    
 H   -6.850700       1.105900     -0.6465000    
 H   -9.023100      0.1991000      -1.264900    
 H   -8.588300      -1.442400     -0.5198000    


%chk=000109961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109961

0 1
S -1.028614 0.792045 -1.574596
F 1.392214 2.304401 -1.081116
F 0.354394 1.550867 0.809991
F 1.161288 -1.009390 0.378042
F 1.953573 -0.499125 -1.726145
F 3.985096 0.935961 -0.800124
F 3.071617 1.166149 1.280490
F 3.513478 -1.357249 1.954696
F 3.770148 -2.062495 -0.207315
F 6.109241 -1.871369 1.514468
F 6.163239 -0.765441 -0.459713
F 5.864529 0.386087 1.479851
O -1.040994 1.921780 -2.728035
O -1.086354 -0.795604 -1.877336
O -4.942430 -0.243953 0.466796
O -5.985322 -2.303699 0.099333
N -2.360202 1.146959 -0.396016
C 0.809559 1.192316 -0.476980
C 1.782513 -0.008131 -0.414894
C 3.214360 0.279022 0.186324
C -2.539974 0.099279 0.644197
C 4.002392 -0.991140 0.683250
C -2.583637 2.586587 -0.089663
C -3.629094 -0.918643 0.302759
C 5.562034 -0.801753 0.799766
C -4.089461 2.910756 -0.079728
C -6.071077 -1.073568 0.324915
C -7.311216 -0.273394 0.486170
C -8.536039 -0.853848 0.398688
H -2.777712 0.608793 1.596198
H -1.596696 -0.461764 0.798847
H -2.088093 3.176913 -0.882136
H -2.114505 2.847191 0.880642
H -3.583254 -1.781155 0.993801
H -3.527129 -1.289302 -0.730882
H -4.531460 2.718494 -1.071122
H -4.628582 2.295583 0.658921
H -4.226293 3.978222 0.173974
H -7.183307 0.797836 0.673146
H -9.455481 -0.270755 0.513478
H -8.627951 -1.929463 0.207561


