%chk=000057786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057786

0 1
 S    1.526900      -2.119300     -9.9999998E-03
 F   -4.301700      0.3421000     -8.2999999E-03
 F   -3.697400      -1.429100       1.103100    
 F   -3.689800      -1.450500      -1.077600    
 F   -2.969900       1.953700     -2.3000000E-02
 F   -1.119900       1.708500       1.079000    
 F   -1.093300       1.667000      -1.098100    
 N   0.9153000      0.3862000      1.2900000E-02
 C    2.825500     -0.9850000     -4.4000000E-03
 C    2.300500      0.3108000      8.1000002E-03
 C   -1.974200     -0.2299000      5.5999998E-03
 C   0.4091000     -0.8248000      4.1000000E-03
 C  -0.9687000      -1.138900      4.9000001E-03
 C   -3.408900     -0.6816000      6.5000001E-03
 C   -1.800700       1.264200     -1.1200000E-02
 C    4.209000      -1.224500     -1.0700000E-02
 C    3.194100       1.403900      1.4700000E-02
 C    5.071400     -0.1253000     -4.1000000E-03
 C    4.572700       1.172700      8.3999997E-03
 H   -1.253200      -2.190300      9.8000001E-03
 H    4.605600      -2.235100     -2.0400001E-02
 H    2.815100       2.421900      2.4400000E-02
 H    6.145900     -0.2886000     -8.8000000E-03
 H    5.258700       2.015300      1.3500000E-02


%chk=000057786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057786

0 1
S 1.570731 -2.207698 -0.183402
F -4.239272 -0.279169 -1.095242
F -4.203521 -0.466303 1.167263
F -3.450839 -2.163883 -0.124806
F -3.253143 1.940335 0.207803
F -1.293265 1.749223 1.310752
F -1.320325 1.935935 -0.957233
N 1.022000 0.432046 0.028141
C 2.922510 -1.022875 -0.105433
C 2.410653 0.321946 0.004594
C -2.073663 -0.168080 0.020278
C 0.413007 -0.737866 -0.056773
C -1.005342 -1.023962 -0.063352
C -3.468357 -0.750717 -0.007582
C -1.973210 1.339657 0.143054
C 4.308638 -1.276214 -0.139508
C 3.310823 1.417129 0.079973
C 5.184296 -0.172257 -0.063163
C 4.690544 1.160684 0.045375
H -1.254475 -2.088176 -0.147480
H 4.701879 -2.293336 -0.222239
H 2.907895 2.430176 0.162912
H 6.265244 -0.346066 -0.087879
H 5.399291 1.992871 0.102347


