%chk=000053359.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053359

0 1
 S    2.994700      -1.058700      -2.126700    
 F   -3.960900      -1.581000      0.4167000    
 F   -4.369400      0.3975000       1.205800    
 F   -4.624800      2.7000001E-03 -0.9174000    
 O   -3.132800       2.402800     -0.4457000    
 O    3.634600       1.986000      0.1681000    
 O    5.894500       1.811400      6.6799998E-02
 N    3.196300     -0.5640000      0.5866000    
 C  -2.3600001E-02 -0.3756000     -0.3234000    
 C   -1.350600     -0.7979000     -7.1000002E-02
 C    1.017000      -1.317700     -0.2800000    
 C   -2.391200      0.1444000     -0.1145000    
 C   0.2237000      0.9765000     -0.6119000    
 C   -2.127200       1.483600     -0.4027000    
 C   -1.598000      -2.149900      0.2174000    
 C   0.7530000      -2.657000      8.2000000E-03
 C    2.410100     -0.9585000     -0.5289000    
 C  -0.8222000       1.898900     -0.6510000    
 C  -0.5520000      -3.072300      0.2564000    
 C   -3.813400     -0.2536000      0.1458000    
 C    4.605500     -0.1835000      0.4580000    
 C    2.690500     -0.4988000       1.959600    
 C    4.795000       1.291100      0.2119000    
 C   -3.448900       3.073800      0.7720000    
 H    1.223200       1.349000     -0.8132000    
 H   -2.527100      -2.642500      0.4318000    
 H    1.555800      -3.389500      4.6999998E-02
 H  -0.6098000       2.940500     -0.8766000    
 H  -0.7524000      -4.116300      0.4815000    
 H    5.080900     -0.7307000     -0.3592000    
 H    5.124800     -0.4478000       1.385900    
 H    3.214100      -1.252800       2.555500    
 H    1.619200     -0.6848000       2.034200    
 H    2.895600      0.4937000       2.371700    
 H   -4.525200       3.265200      0.7919000    
 H   -2.921200       4.031800      0.7976000    
 H   -3.175600       2.488700       1.656500    
 H    3.784000       2.941900      7.1999999E-03


%chk=000053359-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053359

0 1
S 3.125228 -1.218190 -2.136721
F -4.216273 -1.805912 0.638452
F -4.401682 0.169223 1.678917
F -4.769446 0.012054 -0.561462
O -3.223075 2.163635 0.272278
O 3.390421 2.218655 0.272308
O 5.653052 2.147580 0.802611
N 3.132295 -0.510195 0.508989
C -0.036987 -0.597393 -0.142977
C -1.397464 -1.079030 0.062245
C 1.048781 -1.536016 -0.321873
C -2.456679 -0.101595 0.227282
C 0.213554 0.809008 -0.199580
C -2.155062 1.283024 0.143562
C -1.598806 -2.505631 0.066376
C 0.794027 -2.911225 -0.330846
C 2.452222 -1.055890 -0.561978
C -0.816493 1.731244 -0.068934
C -0.532058 -3.385114 -0.128677
C -3.910460 -0.428452 0.484031
C 4.480395 0.039999 0.329438
C 2.589598 -0.451508 1.883946
C 4.599197 1.544877 0.513924
C -2.978713 3.606630 0.177511
H 1.235199 1.166396 -0.365151
H -2.594829 -2.918725 0.207772
H 1.615727 -3.612141 -0.505904
H -0.601812 2.800574 -0.135472
H -0.721815 -4.463763 -0.132741
H 4.788608 -0.202290 -0.713851
H 5.198788 -0.439204 1.017898
H 3.379621 -0.743036 2.599274
H 1.743834 -1.144959 1.988666
H 2.244946 0.570542 2.126204
H -3.970878 4.061899 0.304108
H -2.565712 3.879124 -0.811918
H -2.303162 3.953374 0.982239
H 3.552110 3.199031 0.341952


