%chk=000105454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105454

0 1
 S   -1.163600      8.3099999E-02  7.1099997E-02
 F    2.333200     -0.7734000       1.745900    
 F   0.8909000      0.7308000       2.338800    
 F  -0.1551000      -1.625400       1.732600    
 F   0.7403000      -1.652500     -0.2449000    
 F    2.940300       1.768900       1.085400    
 F    1.106400       1.997700     -3.7700001E-02
 F    3.191600       1.682800      -1.589100    
 F    1.808600      1.8500000E-02  -1.747000    
 F    3.452700      -1.570300     -0.2743000    
 F    4.326100     -0.6841000      -2.053400    
 F    6.066800     -0.8506000      4.0700000E-02
 F    5.607400       1.190500     -0.5521000    
 F    4.743000      0.3701000       1.274000    
 O   -1.793000      0.7792000       1.177400    
 O  -0.7348000      0.8192000      -1.103300    
 O   -4.862700     -0.3663000      0.1240000    
 O   -7.006200     -0.9359000     -0.4923000    
 N   -2.189400      -1.196200     -0.4392000    
 C    1.369200      5.6000002E-02   1.253000    
 C   0.2490000     -0.8201000      0.7084000    
 C    2.035600       1.074000      0.3374000    
 C    2.734300      0.5817000     -0.9228000    
 C    3.892100     -0.3963000     -0.7919000    
 C   -3.041700      -1.862600      0.5754000    
 C   -1.703100      -2.139900      -1.474800    
 C    5.085700      7.2800003E-02  2.7999999E-03
 C   -4.500500      -1.740300      0.1746000    
 C   -6.155100     -9.9299997E-02 -0.2254000    
 C   -6.384400       1.372400     -0.2367000    
 C   -5.270900       2.313900      0.1070000    
 C   -7.612200       1.801500     -0.5634000    
 H   -2.899500      -1.401200       1.557800    
 H   -2.761800      -2.916600      0.6815000    
 H   -1.141400      -2.963400      -1.025600    
 H   -2.554000      -2.551500      -2.026000    
 H   -1.068800      -1.623600      -2.200800    
 H   -5.124000      -2.252600      0.9164000    
 H   -4.669600      -2.198200     -0.8070000    
 H   -4.913100       2.130500       1.125400    
 H   -4.433200       2.188000     -0.5869000    
 H   -5.588500       3.360900      5.3100001E-02
 H   -7.842100       2.862200     -0.5897000    
 H   -8.422100       1.124400     -0.8132000    


%chk=000105454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105454

0 1
S -1.385619 0.081057 -0.189169
F 2.570723 -1.270662 1.409186
F 0.994232 0.101032 2.327505
F -0.099070 -2.071604 1.125108
F 0.866053 -1.591560 -0.881524
F 3.112264 1.467025 1.445018
F 1.215564 1.895722 0.236639
F 3.514909 2.189120 -1.130773
F 2.160367 0.533473 -1.923755
F 3.872300 -1.426480 -0.985201
F 4.798165 0.145531 -2.357082
F 6.593685 -0.696486 -0.548404
F 5.954610 1.413668 -0.014845
F 5.221369 -0.348695 1.217085
O -1.686342 1.107974 1.021714
O -1.145593 0.540567 -1.717625
O -5.346616 -0.383760 0.890490
O -5.757452 -1.026067 -1.319802
N -2.702919 -1.165582 -0.175652
C 1.547628 -0.323394 1.096571
C 0.412757 -1.030370 0.317047
C 2.238617 0.943804 0.461063
C 3.059462 0.870303 -0.888307
C 4.307360 -0.084120 -1.050423
C -3.197002 -1.565119 1.156610
C -2.687672 -2.128707 -1.292944
C 5.532402 0.082689 -0.075697
C -4.732903 -1.698218 1.150514
C -5.769704 -0.136962 -0.431766
C -6.225447 1.280593 -0.585552
C -6.024099 2.240297 0.568026
C -6.780200 1.625634 -1.781064
H -2.913139 -0.780886 1.880553
H -2.755025 -2.530309 1.481475
H -2.181087 -3.077547 -1.027099
H -3.739330 -2.317224 -1.575039
H -2.193088 -1.668706 -2.164872
H -5.070086 -1.995501 2.157325
H -5.085141 -2.427170 0.400348
H -6.554816 1.894530 1.472763
H -4.954544 2.310590 0.837604
H -6.389546 3.246905 0.304588
H -7.127007 2.646554 -1.972656
H -6.886620 0.886859 -2.582781


