%chk=000092434.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092434

0 1
 S   -3.541600       1.362400      -1.264100    
 F    7.534100       1.447500      -1.216900    
 F    8.491800      0.2361000      0.3239000    
 F    7.302000       1.981200      0.8851000    
 O   -3.866300      0.2323000      -2.119200    
 O   -4.141800       2.661800      -1.518300    
 O   -6.153200      -1.000200     -0.8371000    
 O   -4.147100      -2.127500     -0.7773000    
 O   -1.287000     -0.6271000     -0.5632000    
 O    5.011800      0.8617000     -0.2363000    
 N   -1.839900       1.540000      -1.194800    
 N   0.3872000      0.9841000     -0.7952000    
 N    2.507100      -2.996800      0.4961000    
 N    1.420100      -1.021200     -0.1474000    
 N    2.718200      0.9619000     -0.5218000    
 N    3.801900      -1.074500      0.1386000    
 C   -3.914300      0.9330000      0.3968000    
 C   -3.589700       1.811400       1.430800    
 C   -4.533500     -0.2835000      0.6840000    
 C   -3.884400       1.473300       2.751500    
 C   -4.828400     -0.6215000       2.004700    
 C   -2.926800       3.123300       1.162400    
 C   -4.503800      0.2568000       3.038500    
 C   -4.890800      -1.229600     -0.3654000    
 C  -0.9134000      0.5108000     -0.8201000    
 C    1.566400      0.2736000     -0.4720000    
 C    2.579900      -1.631000      0.1459000    
 C    3.794000      0.2237000     -0.2043000    
 C    1.228900      -3.677600      0.5281000    
 C    3.711400      -3.736600      0.8141000    
 C   -6.621400      -1.868900      -1.874200    
 C    6.148200      7.8699999E-02  0.1000000    
 C    7.380500      0.9424000      2.6900001E-02
 H   -3.638200       2.143800       3.570700    
 H   -5.310800      -1.566400       2.241700    
 H   -2.860300       3.712400       2.086300    
 H   -3.494800       3.750500      0.4732000    
 H   -1.896200       2.999100      0.8251000    
 H   -1.465900       2.484900      -1.348600    
 H   -4.733100     -6.6999998E-03   4.066900    
 H   0.5338000       1.960700      -1.035200    
 H    1.329000      -4.726700      0.8259000    
 H   0.7581000      -3.665200     -0.4612000    
 H   0.5527000      -3.201100       1.246600    
 H    3.497700      -4.780000       1.069600    
 H    4.224600      -3.292100       1.674000    
 H    4.397400      -3.746400     -4.0100001E-02
 H   -5.977800      -1.788800      -2.755200    
 H   -6.655500      -2.901200      -1.513600    
 H   -7.632900      -1.557700      -2.148000    
 H    6.050500     -0.3147000       1.118900    
 H    6.254400     -0.7553000     -0.6039000    


%chk=000092434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000092434

0 1
S -3.512437 1.313151 -1.198748
F 7.445834 0.951130 -2.537774
F 8.705622 0.113319 -0.841515
F 7.572513 2.064900 -0.568774
O -3.550952 0.177942 -2.347803
O -4.011474 2.824591 -1.520142
O -6.133379 -0.297781 -1.489593
O -5.397214 -2.458006 -0.963300
O -1.274244 -0.528586 -0.022984
O 5.105944 0.677518 -0.939019
N -1.711279 1.621296 -0.820544
N 0.503658 0.894569 -0.733515
N 2.749138 -2.732079 1.321453
N 1.573746 -0.945992 0.348874
N 2.809151 0.784792 -0.841278
N 4.004071 -1.058897 0.202421
C -4.159715 0.661839 0.491920
C -3.841021 1.397547 1.655576
C -4.870105 -0.557400 0.489867
C -4.204961 0.783840 2.886508
C -5.168960 -1.146674 1.740748
C -3.163803 2.755150 1.675637
C -4.824163 -0.481089 2.934361
C -5.434106 -1.231598 -0.731158
C -0.850815 0.553153 -0.492460
C 1.655898 0.186448 -0.376133
C 2.778603 -1.561740 0.614475
C 3.926275 0.096980 -0.498691
C 1.470591 -3.323135 1.759313
C 3.977235 -3.463719 1.664828
C -6.616554 -0.761074 -2.812863
C 6.333842 -0.046070 -0.596584
C 7.487452 0.783468 -1.142959
H -3.978324 1.318016 3.816058
H -5.692222 -2.107708 1.752281
H -3.398181 3.275753 2.619239
H -3.490428 3.389385 0.834556
H -2.066243 2.650181 1.607446
H -1.410300 2.517663 -1.223428
H -5.063512 -0.935625 3.900959
H 0.724617 1.734900 -1.275949
H 1.364368 -4.341427 1.340245
H 0.644164 -2.690656 1.404860
H 1.441968 -3.390375 2.863452
H 4.061930 -3.571104 2.762959
H 4.846986 -2.912482 1.282581
H 3.957068 -4.474789 1.215478
H -5.750437 -0.818826 -3.492516
H -7.099004 -1.748045 -2.721481
H -7.328156 0.008707 -3.141103
H 6.444733 -0.154327 0.495720
H 6.349381 -1.047934 -1.058600


