%chk=000127112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127112

0 1
 S    7.285100      -2.257100     -0.6652000    
 F    7.821400      -1.696500      -2.051500    
 O  -0.6248000       1.054600     -0.5031000    
 O   -2.296000       3.096900      -2.327800    
 O   -1.060900       4.620300     -0.4342000    
 O    2.008800       1.570600      0.3767000    
 O    3.106500       2.097000       2.330600    
 O    8.410000      -2.160600      0.2448000    
 O    6.649700      -3.520500     -0.9860000    
 N   -2.846600      0.3448000     -6.1999999E-02
 N   -3.588600     -0.6121000       1.829300    
 N   -4.517300     -0.4408000      -1.650600    
 N   -6.117700      -1.806700     -0.5535000    
 N   -6.181900      -2.358400       1.614100    
 C   -2.373700       2.626400     -0.9833000    
 C   -1.996200       1.144500     -0.9453000    
 C   -1.308000       3.267900     -0.1145000    
 C  -0.1002000       2.386900     -0.3821000    
 C   0.9386000       2.431800      0.7241000    
 C   -3.970200     -0.3527000     -0.4061000    
 C   -2.660600      0.1568000       1.290100    
 C   -4.390000     -0.9207000      0.7789000    
 C   -5.533000      -1.692700      0.6914000    
 C   -5.598500      -1.178900      -1.699400    
 C    3.035400       1.493600       1.271200    
 C   -7.217400      -2.603200     -0.4084000    
 C   -7.235700      -2.929800      0.9331000    
 C    4.088800      0.5637000      0.7914000    
 C    5.398500      0.7924000       1.159900    
 C    3.725100     -0.5001000     -8.8999998E-03
 C    6.388200     -8.0700003E-02  0.7084000    
 C    4.714700      -1.373300     -0.4604000    
 C    6.046400      -1.163600     -0.1017000    
 H   -3.384900       2.843600     -0.6242000    
 H   -2.043800      0.6777000      -1.935900    
 H   -1.612100       3.198400      0.9372000    
 H   0.3765000       2.639800      -1.338000    
 H   0.5003000       2.081900       1.666500    
 H    1.315200       3.452600      0.8538000    
 H   -2.972600       2.622400      -2.840500    
 H  -0.3440000       4.934800      0.1420000    
 H   -1.837400      0.6063000       1.828600    
 H   -6.127900      -1.322400      -2.655000    
 H   -7.867000      -2.860500      -1.233200    
 H   -7.957600      -3.550000       1.444600    
 H    5.677500       1.634800       1.785900    
 H    2.694400     -0.6913000     -0.2922000    
 H    7.419300      0.1072000      0.9943000    
 H    4.425300      -2.207300      -1.093400    


%chk=000127112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127112

0 1
S 8.146928 -1.531222 -0.160232
F 8.970982 -0.059767 -0.936902
O -0.561684 0.473378 -1.316462
O -2.066643 2.382518 -3.122487
O -1.232108 4.023931 -1.112744
O 1.898544 1.148923 0.176479
O 2.588554 1.726552 2.327529
O 8.973221 -1.848220 1.179728
O 7.958979 -2.605400 -1.338909
N -2.718397 -0.275584 -0.602246
N -3.061487 -1.812943 1.072969
N -5.083229 0.339616 -1.087022
N -6.644548 -0.838616 0.291474
N -6.214133 -2.381277 1.954345
C -2.421958 1.930500 -1.782979
C -1.982047 0.457409 -1.672978
C -1.503392 2.630665 -0.740435
C -0.179526 1.837744 -0.852495
C 0.576117 1.762530 0.463116
C -4.108209 -0.357428 -0.410478
C -2.149477 -1.183496 0.303228
C -4.292034 -1.309127 0.636204
C -5.634837 -1.582490 1.039002
C -6.333591 0.073992 -0.717287
C 2.823818 1.188844 1.219646
C -7.885826 -1.240260 0.813568
C -7.593146 -2.169962 1.813645
C 4.108472 0.519740 0.844814
C 5.156289 0.525140 1.801272
C 4.280479 -0.110229 -0.414988
C 6.390014 -0.088234 1.505258
C 5.506996 -0.730730 -0.730869
C 6.516723 -0.694586 0.244522
H -3.501339 2.062932 -1.593036
H -2.091267 -0.068305 -2.635723
H -1.941360 2.558289 0.274777
H 0.456501 2.295422 -1.631947
H 0.049203 1.140239 1.208844
H 0.732688 2.775117 0.879656
H -1.733713 3.318116 -3.036107
H -1.896814 4.627783 -0.696963
H -1.076330 -1.344219 0.342700
H -7.164549 0.581581 -1.212243
H -8.827093 -0.846045 0.441415
H -8.300425 -2.704102 2.444757
H 4.988697 1.013201 2.766219
H 3.457629 -0.111129 -1.134066
H 7.212839 -0.103004 2.226192
H 5.666584 -1.229987 -1.691261


