%chk=000126977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126977

0 1
 S   -4.462300      -2.019300      -1.361600    
 F    6.432500      -1.456100     -0.4791000    
 F    6.434500      0.5178000      0.4197000    
 F    5.661500      -1.181200       1.535400    
 O    1.285800       1.537000      0.6084000    
 O   0.8512000     -0.7867000       1.943200    
 N   -3.882200     -0.3709000       1.335300    
 N   -3.485400       2.013500     -3.9600000E-02
 N   -1.024900      -1.925900      -3.504000    
 C   -4.139200      -1.769700       1.441300    
 C   -2.582000      0.1541000       1.125700    
 C   -1.100100       1.831500      0.2509000    
 C   -2.413400       1.350400      0.4338000    
 C   -3.638500      -2.501400      0.1903000    
 C  -4.1999999E-03   1.113300      0.7582000    
 C   -1.492500     -0.5602000       1.630000    
 C  -0.9298000       3.035400     -0.4460000    
 C   -5.616700      -1.999700       1.745100    
 C  -0.2019000     -8.0399998E-02   1.446200    
 C   -2.032500       3.720900     -0.9348000    
 C   0.4008000       3.666000     -0.7161000    
 C   -3.277800       3.171800     -0.7065000    
 C   -3.169400      -2.540300      -2.510500    
 C    2.157000      0.7043000     -6.9200002E-02
 C   -2.063100      -1.494500      -2.572700    
 C    3.435800      0.4722000      0.4370000    
 C    1.757100      9.6799999E-02  -1.259400    
 C    4.314900     -0.3673000     -0.2472000    
 C   0.5513000      -1.998100       2.633900    
 C    2.636100     -0.7428000      -1.943600    
 C    3.915000     -0.9748000      -1.437500    
 C    5.682300     -0.6155000      0.2933000    
 H   -3.611600      -2.185700       2.308400    
 H   -4.639400      0.2273000       1.017600    
 H   -3.826300      -3.574300      0.3182000    
 H   -2.556900      -2.403400      8.1500001E-02
 H   -1.682600      -1.466900       2.187400    
 H   -5.886800      -1.540800       2.703200    
 H   -5.840100      -3.069600       1.811100    
 H   -6.270900      -1.559400      0.9851000    
 H   -1.944400       4.654400      -1.479700    
 H    1.003600       3.046700      -1.385800    
 H   0.2923000       4.633600      -1.221900    
 H   0.9355000       3.882400      0.2142000    
 H   -4.176500       3.662400      -1.065500    
 H   -3.630700      -2.655200      -3.497800    
 H   -2.783900      -3.523100      -2.217300    
 H   -1.593900      -1.341500      -1.597000    
 H   -2.459600     -0.5288000      -2.907500    
 H    3.743200      0.9474000       1.365200    
 H   0.7738000      0.2738000      -1.685800    
 H  -2.7600000E-02  -1.812000       3.545000    
 H   7.5800002E-02  -2.733200       1.975300    
 H    1.506400      -2.430600       2.950200    
 H    2.326300      -1.212600      -2.872500    
 H    4.585500      -1.631100      -1.985300    
 H   -1.423600      -2.036300      -4.435500    
 H  -0.3169000      -1.196900      -3.581500    


%chk=000126977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126977

0 1
S -4.347736 -2.987553 -1.347542
F 6.865171 -0.991234 -0.765309
F 6.617044 1.237872 -1.066067
F 6.411812 0.354130 1.008013
O 1.456329 1.057709 0.932193
O 0.749231 -1.189810 2.181400
N -3.973799 -0.541325 0.866804
N -3.325891 1.774639 -0.271419
N -1.417699 -0.484178 -3.001517
C -4.563458 -1.805529 1.313941
C -2.649570 -0.172467 0.955683
C -0.905781 1.534779 0.296749
C -2.284107 1.084150 0.315876
C -4.060565 -3.050585 0.523363
C 0.074643 0.701147 0.917825
C -1.654340 -0.922908 1.613580
C -0.642069 2.805944 -0.358349
C -6.098413 -1.682692 1.248803
C -0.301418 -0.483794 1.587676
C -1.730542 3.480124 -0.934220
C 0.735286 3.434700 -0.435240
C -3.048920 2.941871 -0.880881
C -2.654612 -2.354656 -1.957801
C 2.313676 0.385169 0.035031
C -2.767779 -0.985181 -2.652092
C 3.693686 0.538113 0.286948
C 1.851589 -0.362897 -1.074954
C 4.618867 -0.076389 -0.582319
C 0.436329 -2.436266 2.883973
C 2.799385 -0.972536 -1.926808
C 4.184331 -0.838264 -1.694516
C 6.088230 0.119676 -0.350385
H -4.272818 -1.979927 2.375963
H -4.550505 0.128891 0.343260
H -4.599336 -3.946325 0.879977
H -2.980773 -3.219693 0.672039
H -1.919408 -1.840045 2.143345
H -6.447808 -0.817851 1.839905
H -6.577413 -2.592827 1.649416
H -6.426224 -1.555811 0.200359
H -1.568961 4.443517 -1.429322
H 1.423739 2.836487 -1.059744
H 0.669633 4.445814 -0.872721
H 1.204433 3.505387 0.560116
H -3.890791 3.473555 -1.338125
H -2.256146 -3.125797 -2.640062
H -1.987265 -2.269673 -1.085064
H -3.234712 -0.271395 -1.954351
H -3.448827 -1.069889 -3.528910
H 4.019514 1.111188 1.158902
H 0.779451 -0.471265 -1.280087
H -0.247306 -2.256689 3.735910
H -0.003888 -3.186744 2.199124
H 1.404965 -2.799361 3.256500
H 2.447300 -1.558361 -2.782411
H 4.913390 -1.319577 -2.352478
H -1.021363 -0.884071 -3.857372
H -1.327190 0.535502 -2.973408


