%chk=000126176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126176

0 1
 S   -1.988100      -1.025400      0.1155000    
 F    3.107200       1.993600      -1.476200    
 F    2.835000      -2.414300      0.2726000    
 F    4.918100      -1.872800       1.942700    
 F    5.189900       2.522100      0.1992000    
 F    6.099000      0.5931000       1.910500    
 O  -0.9359000     -0.4481000      0.9307000    
 O   -2.449800      -2.377100      0.3690000    
 O    1.779600      5.5300001E-02  -2.610500    
 N   -3.333700      4.6399999E-02  8.2000002E-02
 N   0.9000000      -1.429000      -1.060000    
 C   -4.620500     -0.4791000     -0.4440000    
 C   -3.095300       1.451300     -0.3141000    
 C   -1.448800     -0.9547000      -1.579600    
 C   -5.471700      -1.036000      0.6921000    
 C   -4.056600       2.380900      0.4188000    
 C   -6.822600      -1.568800      0.2082000    
 C   -3.835800       3.853300      6.3900001E-02
 C  -0.2397000      -1.833300      -1.837100    
 C   -7.674900      -2.057000       1.369300    
 C   -4.763200       4.760600      0.8576000    
 C    1.830400     -0.5033000      -1.518000    
 C    2.966300     -0.2117000     -0.6058000    
 C    3.545000       1.040100     -0.6415000    
 C    3.406400      -1.201900      0.2478000    
 C    4.472800     -0.9280000       1.104200    
 C    4.611400       1.314100      0.2149000    
 C    5.075400      0.3299000       1.087700    
 H   -4.424600      -1.267700      -1.179900    
 H   -5.178400      0.2880000     -0.9917000    
 H   -3.205900       1.559000      -1.399400    
 H   -2.069600       1.740300     -5.8800001E-02
 H   -2.281900      -1.280500      -2.208700    
 H   -1.210200      8.7800004E-02  -1.810700    
 H   -4.931800      -1.836200       1.211700    
 H   -5.638900     -0.2461000       1.435400    
 H   -5.098800       2.123400      0.1997000    
 H   -3.929500       2.244700       1.500700    
 H   -6.664800      -2.391600     -0.4985000    
 H   -7.363400     -0.7793000     -0.3264000    
 H   -4.007300       4.006000      -1.007800    
 H   -2.796500       4.133800      0.2707000    
 H   2.0600000E-02  -1.801400      -2.900500    
 H  -0.4536000      -2.874600      -1.574500    
 H   -7.174600      -2.867000       1.909500    
 H   -7.877400      -1.245800       2.075900    
 H   -8.634200      -2.435100       1.002300    
 H   -5.812400       4.525800      0.6516000    
 H   -4.591400       4.653200       1.933400    
 H   -4.590300       5.807400      0.5888000    
 H   0.9963000      -1.830900     -0.1326000    


%chk=000126176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126176

0 1
S -2.107909 -1.562467 -0.025828
F 2.523705 1.917792 -1.779285
F 3.688054 -2.185052 0.518105
F 5.494523 -0.784385 2.099682
F 4.336221 3.314486 -0.200620
F 5.830713 1.965206 1.735582
O -0.910490 -1.036353 0.962911
O -2.747776 -3.046295 0.147210
O 2.482873 -1.083662 -2.840462
N -3.507894 -0.334749 0.194016
N 1.027158 -1.424679 -1.043402
C -4.784136 -0.815832 -0.407590
C -3.055747 1.051859 -0.102811
C -1.328248 -1.515974 -1.848872
C -5.944087 -0.779535 0.614016
C -3.894074 2.092899 0.673091
C -7.259059 -1.314304 0.000323
C -3.322390 3.519828 0.499535
C 0.044819 -2.193908 -1.817852
C -8.430456 -1.286030 1.005583
C -4.162126 4.580407 1.243328
C 2.172061 -0.935141 -1.622314
C 3.077016 -0.162933 -0.669664
C 3.267548 1.224631 -0.827705
C 3.832774 -0.811857 0.326383
C 4.755429 -0.117769 1.133434
C 4.177495 1.946132 -0.032045
C 4.926860 1.268021 0.950133
H -4.651353 -1.870694 -0.720395
H -5.032812 -0.215579 -1.310564
H -3.104603 1.278715 -1.194190
H -2.004021 1.134695 0.231465
H -2.073573 -2.069103 -2.440971
H -1.277457 -0.448688 -2.115171
H -5.654061 -1.392371 1.487854
H -6.096682 0.251928 0.983138
H -4.943612 2.075757 0.320699
H -3.901897 1.812530 1.743115
H -7.101176 -2.352776 -0.355140
H -7.524737 -0.713185 -0.893822
H -3.275818 3.773862 -0.579185
H -2.279214 3.543625 0.873709
H 0.429239 -2.266000 -2.853399
H -0.046676 -3.221224 -1.416306
H -8.205992 -1.906940 1.892560
H -8.628477 -0.256249 1.357698
H -9.360278 -1.671809 0.549501
H -5.202308 4.601187 0.867429
H -4.200004 4.367071 2.327708
H -3.736004 5.591497 1.112716
H 0.769959 -1.223187 -0.063234


