%chk=000100037.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100037

0 1
 S    6.024500       1.109400      0.3998000    
 F   -2.232000      -2.021700       1.543200    
 F   -1.892800      -4.149900       1.878300    
 F   -3.313500      -3.497800      0.3599000    
 O  -0.2877000       2.020300       1.704300    
 O   -2.922600       2.687700       1.380700    
 O   -4.230000       2.090000     -0.9807000    
 O    4.330500     -0.8926000       1.898700    
 O  -0.7362000      -4.187700     -0.7861000    
 N  -0.3802000      -1.972300     -0.1673000    
 C   0.7135000      -1.685300      -1.073000    
 C   0.2136000      -1.366000      -2.500100    
 C  -0.1547000      8.6099997E-02  -2.832000    
 C    1.650100     -0.6729000     -0.4122000    
 C  -0.8838000      0.7976000      -1.723200    
 C  -0.2099000       1.109100     -0.5240000    
 C    1.223700      0.7345000     -0.3678000    
 C  -0.9050000       1.741700      0.5180000    
 C   -2.235900       1.136200      -1.862200    
 C    2.767300      -1.149600      0.1689000    
 C    2.060800       1.788200     -0.2955000    
 C   -2.250900       2.073900      0.3647000    
 C   -2.914000       1.773400     -0.8231000    
 C    3.816000     -0.3966000      0.8992000    
 C   -1.007500      -3.201900     -0.1064000    
 C    3.501900       1.793100     -0.2442000    
 C    4.303900      0.8770000      0.3113000    
 C   -2.106700      -3.218200      0.9146000    
 C  -0.3517000       1.018300       2.714800    
 C   -2.914400       4.113100       1.392900    
 C   -5.184600       1.107200     -0.5852000    
 C    6.508300      0.3555000      -1.166400    
 H    1.252000      -2.638200      -1.180000    
 H   0.9903000      -1.669300      -3.215300    
 H  -0.6557000      -1.999400      -2.723200    
 H  -0.7551000      9.5799997E-02  -3.750700    
 H   0.7511000      0.6537000      -3.083300    
 H  -0.7131000      -1.238000      0.4503000    
 H   -2.765400      0.8981000      -2.781800    
 H    2.944700      -2.224100      0.1759000    
 H    1.652900       2.799700     -0.3313000    
 H    3.940900       2.705100     -0.6483000    
 H   0.1595000      0.1062000       2.392800    
 H   -1.391400      0.7919000       2.972100    
 H   0.1515000       1.400800       3.607100    
 H   -3.387400       4.509000      0.4888000    
 H   -1.891000       4.492000       1.477700    
 H   -3.485000       4.451300       2.262100    
 H   -6.185300       1.510500     -0.7628000    
 H   -5.064100      0.1951000      -1.178300    
 H   -5.083500      0.8782000      0.4804000    
 H    7.594800      0.4122000      -1.274000    
 H    6.211700     -0.6968000      -1.195900    
 H    6.049200      0.8830000      -2.007200    


%chk=000100037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100037

0 1
S 6.029525 1.479584 0.427683
F -2.362306 -1.877693 1.613521
F -1.571570 -3.816630 2.495796
F -3.068981 -3.877944 0.796600
O -0.422150 1.904557 1.584539
O -3.143358 2.613476 1.216665
O -4.435892 1.883802 -1.298173
O 5.219409 -1.431814 -0.184725
O -0.207691 -4.325008 -0.018528
N -0.477922 -1.998384 -0.260936
C 0.609214 -1.814740 -1.253881
C 0.060055 -1.554147 -2.691949
C -0.243710 -0.063681 -3.003252
C 1.619976 -0.740149 -0.793228
C -1.005853 0.621130 -1.882401
C -0.330439 0.913845 -0.652324
C 1.128459 0.595899 -0.484789
C -1.075843 1.556029 0.383454
C -2.371628 0.928419 -2.031286
C 2.933639 -1.196062 -0.707485
C 1.941895 1.653345 -0.049373
C -2.443630 1.914081 0.205329
C -3.108554 1.560998 -1.001197
C 4.224758 -0.623597 -0.296371
C -0.767417 -3.230682 0.258589
C 3.352685 1.756538 0.130483
C 4.383595 0.820990 0.000828
C -1.934572 -3.207531 1.288261
C -0.939352 1.241850 2.811548
C -2.689809 4.016194 1.403928
C -5.473945 1.628742 -0.270799
C 7.268768 0.554162 -0.656843
H 1.121604 -2.791195 -1.275451
H 0.810201 -1.922956 -3.416954
H -0.849134 -2.170581 -2.821455
H -0.815885 -0.004877 -3.945992
H 0.714220 0.464107 -3.173017
H -1.015525 -1.177239 0.032179
H -2.897701 0.694219 -2.961935
H 3.085367 -2.260878 -0.937309
H 1.410435 2.590125 0.149335
H 3.684382 2.769840 0.398644
H -0.789435 0.149285 2.741509
H -2.008690 1.472565 2.956147
H -0.335355 1.652506 3.634049
H -2.832934 4.588997 0.469340
H -1.629096 4.039481 1.709878
H -3.329043 4.425093 2.200980
H -6.417039 1.934676 -0.747427
H -5.505255 0.549755 -0.028736
H -5.280016 2.213015 0.641746
H 8.248379 0.961260 -0.360483
H 7.186257 -0.519951 -0.453774
H 7.068507 0.773777 -1.715952


