%chk=000068714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068714

0 1
 S    3.167600      -2.398800      -1.526100    
 F   1.0100000E-02  -5.783300      0.6215000    
 F    6.523600       3.094600      0.4344000    
 F    4.562600       3.987900      0.1888000    
 F    5.066500       2.970900       2.043800    
 O   -9.455500      0.5734000       1.060200    
 N   -3.237000      0.9491000     -0.8285000    
 C   -6.061700       1.480600     -0.2509000    
 C   -5.490400       1.524700      -1.672200    
 C   -5.201700      0.5627000      0.6244000    
 C   -4.003100       1.884000      -1.663300    
 C   -3.724100      0.9544000      0.5574000    
 C   -7.518000       1.024400     -0.2591000    
 C   -1.811600       1.274700     -0.8714000    
 C   -8.109500       1.021800       1.139100    
 C   -1.014600      0.2755000     -3.3599999E-02
 C   0.4482000      0.5819000     -8.2900003E-02
 C    1.411900     -0.3548000      1.1000000E-02
 C    2.831100      4.5400001E-02 -0.1861000    
 C    1.020800      -1.780800      0.1745000    
 C    3.705700     -0.8257000     -0.8631000    
 C    1.767900      -2.780200     -0.4775000    
 C    3.340700       1.251300      0.3267000    
 C  -4.8000000E-02  -2.167400       1.002200    
 C    4.679400       1.599400      0.1404000    
 C    5.047900     -0.4632000      -1.050700    
 C    1.413100      -4.129200     -0.3273000    
 C    5.530800      0.7454000     -0.5518000    
 C  -0.3884000      -3.512900       1.150300    
 C   0.3381000      -4.492100      0.4821000    
 C    5.197600       2.886300      0.6878000    
 H   -6.016600       2.496500      0.1654000    
 H   -6.037900       2.261000      -2.272800    
 H   -5.625900      0.5513000      -2.161900    
 H   -5.320300     -0.4821000      0.3081000    
 H   -5.506800      0.6201000       1.674300    
 H   -3.637500       1.844400      -2.696700    
 H   -3.876600       2.916800      -1.312400    
 H   -3.575600       1.935400       1.027100    
 H   -3.221300      0.2058000       1.175000    
 H   -7.609400      2.1700000E-02 -0.6965000    
 H   -8.113800       1.682500     -0.9046000    
 H   -1.633000       2.298100     -0.5138000    
 H   -1.457900       1.229200      -1.909900    
 H   -7.596500      0.3295000       1.809500    
 H   -8.097000       2.019600       1.588500    
 H   -1.291000      0.3750000       1.018700    
 H   -1.272200     -0.7096000     -0.4298000    
 H   0.7087000       1.627400     -0.2324000    
 H   -9.942900       1.202900      0.5018000    
 H    2.700200       1.928000      0.8890000    
 H  -0.5781000      -1.468600       1.640100    
 H    5.734300      -1.119000      -1.581900    
 H    1.971700      -4.913400     -0.8334000    
 H    6.575600      0.9987000     -0.7085000    
 H   -1.205700      -3.796900       1.806800    


%chk=000068714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068714

0 1
S 3.196189 -2.238921 -1.955661
F 0.657831 -6.169879 0.276320
F 6.520496 2.886201 1.062792
F 4.869266 4.032918 0.023776
F 4.494318 3.129486 2.066084
O -9.907129 1.201178 0.864467
N -3.304931 0.943294 -0.507061
C -6.207318 1.546018 -0.307398
C -5.518473 1.155497 -1.638426
C -5.390770 0.955369 0.869642
C -4.030920 1.556732 -1.649207
C -3.905295 1.358903 0.785303
C -7.689773 1.096704 -0.295586
C -1.846185 1.181076 -0.576378
C -8.495238 1.618016 0.909169
C -1.036183 0.170519 0.276673
C 0.448814 0.408505 0.139400
C 1.462329 -0.512789 0.034251
C 2.861759 -0.039627 -0.195428
C 1.260116 -1.988023 0.112273
C 3.740017 -0.731198 -1.075946
C 1.984425 -2.874058 -0.734644
C 3.356416 1.125188 0.444118
C 0.365020 -2.568052 1.054642
C 4.653988 1.608341 0.176306
C 5.045287 -0.254868 -1.339902
C 1.789261 -4.271881 -0.693129
C 5.503874 0.924438 -0.725958
C 0.148128 -3.958569 1.120267
C 0.859709 -4.778115 0.227632
C 5.124455 2.876132 0.822969
H -6.175409 2.656244 -0.220201
H -6.033811 1.638253 -2.492294
H -5.592412 0.058967 -1.778933
H -5.465397 -0.149877 0.843992
H -5.796253 1.296528 1.841429
H -3.554893 1.213909 -2.586878
H -3.952643 2.676994 -1.624689
H -3.816036 2.470531 0.925271
H -3.348505 0.882270 1.612348
H -7.746910 -0.009932 -0.312163
H -8.177065 1.455434 -1.228804
H -1.575445 2.225772 -0.267522
H -1.535173 1.069577 -1.632441
H -8.124934 1.190362 1.855012
H -8.413715 2.726265 0.971347
H -1.335746 0.275413 1.341437
H -1.316654 -0.853083 -0.028748
H 0.733804 1.468455 0.048826
H -10.303794 1.515994 0.012683
H 2.724402 1.644028 1.170952
H -0.153314 -1.914820 1.761437
H 5.702262 -0.811131 -2.015634
H 2.351094 -4.952143 -1.338875
H 6.515572 1.291716 -0.921128
H -0.544008 -4.399960 1.842017


