%chk=000059856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059856

0 1
 S    1.934300      -2.003900      -1.994600    
 F    4.475000       1.357700       2.091300    
 F   -2.859300       1.145000       1.505300    
 F   0.6345000       3.030000      -1.098600    
 O  -0.2183000     -0.1073000     -0.1857000    
 N   -1.770900      -2.857200     -0.4658000    
 N   -2.804400      -3.716100       1.284900    
 C   0.6292000      -2.343000     -0.7545000    
 C   0.6549000      -1.152400      0.2299000    
 C    2.073100     -0.6488000      0.2609000    
 C  -0.7105000      -2.590300      -1.429100    
 C    2.838300     -0.9921000     -0.8580000    
 C    2.616400      0.1494000       1.261700    
 C    4.147200     -0.5531000     -0.9961000    
 C  -0.1579000       1.002300      0.6989000    
 C    3.935300      0.5897000       1.135400    
 C    4.696000      0.2408000      1.2200000E-02
 C   -3.017600      -2.319800     -0.4878000    
 C   -1.678900      -3.686500      0.6063000    
 C   -1.095200       2.068200      0.2123000    
 C   -3.643300      -2.866800      0.6079000    
 C   -2.414500       2.077600      0.6515000    
 C  -0.6364000       3.037000     -0.6733000    
 C   -3.286000       3.068500      0.1993000    
 C   -1.508200       4.027800      -1.125500    
 C   -2.832900       4.043500     -0.6891000    
 H   0.9736000      -3.241700     -0.2274000    
 H   0.3486000      -1.503100       1.223800    
 H  -0.6691000      -3.472300      -2.080100    
 H   -1.025700      -1.736400      -2.040900    
 H    2.058300      0.4012000       2.158200    
 H    4.742800     -0.8175000      -1.864100    
 H   0.8148000       1.490800      0.7040000    
 H  -0.4140000      0.7015000       1.722000    
 H    5.719900      0.5935000     -7.4600004E-02
 H   -3.349500      -1.621700      -1.243600    
 H  -0.7917000      -4.253700      0.8518000    
 H   -4.654700      -2.690900      0.9441000    
 H   -4.317500       3.080400      0.5392000    
 H   -1.155100       4.786800      -1.817400    
 H   -3.511500       4.814900      -1.041200    


%chk=000059856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059856

0 1
S 1.898595 -1.877517 -2.036859
F 4.811673 0.972825 2.370258
F -2.992893 1.119856 1.155637
F 0.598497 3.461755 -1.061142
O -0.136652 0.086927 -0.227772
N -1.806014 -2.923232 -0.407622
N -3.015749 -4.442754 0.770997
C 0.563747 -2.197850 -0.688890
C 0.682826 -1.028298 0.315860
C 2.156747 -0.661864 0.383131
C -0.814569 -2.381460 -1.352250
C 2.882824 -0.966944 -0.799213
C 2.801149 -0.016549 1.458293
C 4.236964 -0.603765 -0.939265
C -0.167796 1.275753 0.655377
C 4.155063 0.330446 1.300184
C 4.883804 0.063148 0.128010
C -2.587854 -2.192951 0.501750
C -2.097693 -4.273290 -0.200539
C -1.157547 2.246940 0.065072
C -3.323986 -3.143273 1.213544
C -2.545995 2.153107 0.303086
C -0.772210 3.303632 -0.789241
C -3.503793 3.018282 -0.247132
C -1.673598 4.208263 -1.374326
C -3.050385 4.053739 -1.096353
H 0.878210 -3.128196 -0.183307
H 0.273247 -1.318671 1.306774
H -0.725924 -3.090663 -2.194703
H -1.162638 -1.413187 -1.743172
H 2.283033 0.206326 2.396461
H 4.794465 -0.840731 -1.850113
H 0.836519 1.733712 0.704155
H -0.482528 0.967406 1.674024
H 5.935087 0.357190 0.060932
H -2.558755 -1.107468 0.541588
H -1.635568 -5.069623 -0.780780
H -4.053226 -2.977561 2.003025
H -4.562877 2.881457 -0.015209
H -1.301805 5.003163 -2.025655
H -3.773291 4.743918 -1.541113


