%chk=000157574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157574

0 1
 S   -2.067300       1.673200      -1.253700    
 F   -3.764500      -1.489000       2.988700    
 F   -1.754700      -1.141900       2.251100    
 F   -3.220700      0.4633000       2.200700    
 O   -3.395900       2.175800     -0.9579000    
 O   -1.588400       1.560400      -2.617400    
 O    5.760000      -1.193100      0.4533000    
 O    4.374600      -1.143900       2.424700    
 O   8.8500001E-02  -1.944900      -1.814000    
 O  -0.1857000      -2.520200      0.3824000    
 N   -1.831000      0.2011000     -0.4065000    
 C   0.5129000      0.6426000     -5.3599998E-02
 C   0.2055000       2.095700      0.1485000    
 C  -0.9286000       2.694500     -0.4024000    
 C  -0.4613000     -0.2635000     -0.3337000    
 C    1.918700      0.1578000      4.4500001E-02
 C   -2.897000     -0.7681000     -0.5191000    
 C    2.715100      0.1339000      -1.106200    
 C    4.035900     -0.3159000      -1.036000    
 C    2.409500     -0.2592000       1.277000    
 C    1.079500       2.931300      0.8646000    
 C   -1.213600       4.053200     -0.2531000    
 C    4.508100     -0.7264000      0.1938000    
 C    3.716900     -0.6986000       1.319300    
 C   -3.497400      -1.290800      0.6196000    
 C    4.892900     -0.3484000      -2.251700    
 C  -0.1763000      -1.703600     -0.5153000    
 C   0.8128000       4.296200       1.021200    
 C  -0.3322000       4.856100      0.4617000    
 C   -3.308400      -1.165500      -1.785700    
 C    5.668500      -1.455300       1.868500    
 C   -4.525000      -2.225100      0.4902000    
 C   -3.067200     -0.8752000       1.988600    
 C   -4.336000      -2.099900      -1.915200    
 C    4.795800      -1.677100      -2.999600    
 C   -4.944200      -2.629600     -0.7772000    
 H    2.307200      0.4645000      -2.059400    
 H    1.799200     -0.2449000       2.173900    
 H    1.987300       2.546400       1.321500    
 H   -2.105700       4.495600     -0.6858000    
 H    4.609300      0.4676000      -2.928400    
 H    5.939200     -0.1560000      -1.984100    
 H    1.503400       4.920500       1.580900    
 H  -0.5366000       5.915300      0.5850000    
 H   -2.840000     -0.7825000      -2.687100    
 H    5.879100      -2.516700       2.043100    
 H    6.426400     -0.8561000       2.386100    
 H   -5.012600      -2.651100       1.362600    
 H   -4.659700      -2.418200      -2.901700    
 H    5.115600      -2.511600      -2.366500    
 H    5.435500      -1.658300      -3.887500    
 H    3.768300      -1.874300      -3.323600    
 H   -5.743600      -3.358000     -0.8783000    
 H   0.2851000      -2.891300      -1.981100    


%chk=000157574-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157574

0 1
S -1.989583 1.283745 -2.065313
F -3.116226 -0.887786 3.253562
F -1.346205 -1.632242 2.061341
F -1.980281 0.543174 1.925839
O -3.514410 1.843551 -2.095883
O -1.219479 0.957321 -3.455962
O 5.864443 -1.080322 0.769102
O 4.183809 -1.959199 2.234282
O -1.281463 -2.693097 -1.658630
O 0.660253 -2.793158 -0.402751
N -1.881699 -0.223773 -0.873288
C 0.454123 0.261517 -0.342638
C 0.159545 1.713896 -0.282939
C -0.935339 2.335873 -0.939065
C -0.567947 -0.656297 -0.623580
C 1.876335 -0.123988 -0.099547
C -3.100306 -0.844308 -0.509051
C 2.889194 0.423160 -0.936562
C 4.272995 0.148362 -0.756420
C 2.226339 -0.956987 1.004682
C 0.962562 2.589344 0.509561
C -1.274625 3.691719 -0.836053
C 4.572914 -0.685421 0.331966
C 3.582842 -1.209087 1.188335
C -3.424485 -1.122303 0.858244
C 5.348964 0.691204 -1.678790
C -0.297393 -2.116620 -0.838228
C 0.657146 3.958557 0.634143
C -0.463992 4.516899 -0.025508
C -4.053213 -1.153628 -1.513664
C 5.614043 -2.066835 1.858109
C -4.659086 -1.737092 1.175167
C -2.494703 -0.776674 1.987690
C -5.292527 -1.729113 -1.180683
C 5.931717 -0.397195 -2.620042
C -5.595725 -2.035100 0.165919
H 2.593250 1.067427 -1.772338
H 1.467064 -1.379309 1.664146
H 1.819826 2.169450 1.043014
H -2.154510 4.083231 -1.356304
H 4.928417 1.515944 -2.283172
H 6.175036 1.116788 -1.076984
H 1.289782 4.593869 1.262487
H -0.707953 5.577399 0.091066
H -3.794619 -0.962315 -2.558518
H 5.813097 -3.083462 1.469326
H 6.237308 -1.805962 2.726895
H -4.890199 -1.957877 2.220882
H -6.013348 -1.955154 -1.973135
H 6.388213 -1.214554 -2.034693
H 6.710816 0.032524 -3.275465
H 5.142134 -0.830470 -3.259565
H -6.552051 -2.497180 0.429211
H -1.063603 -3.657647 -1.770500


