%chk=000124939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124939

0 1
 S    4.654300      -1.241600      0.2567000    
 F    2.484100       5.074900     -0.4163000    
 F   0.7499000       4.042600      -1.210600    
 F   0.9554000       4.324300      0.9359000    
 O   -3.032600     -0.2897000     -0.7308000    
 O   -2.576900     -0.4826000       1.524800    
 O   -4.394800       2.169700     -0.1457000    
 O   -4.997100      -2.379100     -0.5828000    
 N    1.570600     -0.9192000      0.4846000    
 N   -4.387400     -0.1460000     -0.3600000    
 C   0.2061000     -0.7932000       1.012900    
 C    2.299700      0.2775000      0.2683000    
 C    2.030900      -2.222700      0.1696000    
 C    3.701200      0.2580000      0.1250000    
 C  -0.7906000     -0.6071000     -0.1252000    
 C    3.405800      -2.490000      1.6400000E-02
 C    1.661000       1.531500      0.1509000    
 C    2.378500       2.709400     -7.4400000E-02
 C    1.141800      -3.299500     -3.9799999E-02
 C    4.418800       1.447000     -9.6600004E-02
 C   -6.361200      0.8280000      0.2923000    
 C   -6.561200     -0.6821000      0.1474000    
 C   -2.219300     -0.4613000      0.3548000    
 C    3.759200       2.667600     -0.1949000    
 C    3.856500      -3.783000     -0.3032000    
 C   -4.928700       1.072300     -9.8200001E-02
 C   -5.230900      -1.210100     -0.3174000    
 C    1.594800      -4.581800     -0.3620000    
 C    2.953800      -4.824500     -0.4906000    
 C    1.658200       4.010600     -0.1912000    
 H   0.1360000      3.9799999E-02   1.726100    
 H  -6.6500001E-02  -1.660600       1.629500    
 H  -0.5653000      0.2721000     -0.7343000    
 H  -0.7729000      -1.460000     -0.8105000    
 H   0.5879000       1.643000      0.2620000    
 H   6.6500001E-02  -3.192500      5.6499999E-02
 H    5.502400       1.433900     -0.1958000    
 H   -6.524700       1.153300       1.323900    
 H   -7.027300       1.382400     -0.3751000    
 H   -7.330900     -0.9110000     -0.5953000    
 H   -6.828500      -1.141200       1.103700    
 H    4.339200       3.569100     -0.3688000    
 H    4.919000      -3.993000     -0.4098000    
 H   0.8816000      -5.388000     -0.5077000    
 H    3.311200      -5.819400     -0.7379000    


%chk=000124939-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124939

0 1
S 4.513702 -1.227464 1.064836
F 2.869776 4.859466 -1.555964
F 0.788513 3.965402 -1.357072
F 1.808464 4.884653 0.442713
O -3.052336 0.354293 -0.552468
O -2.642614 -1.929505 -0.084580
O -4.093068 0.295436 2.134409
O -5.190368 -0.347254 -2.403329
N 1.461315 -0.705853 0.564992
N -4.408636 0.090713 -0.204467
C 0.021919 -0.448560 0.721060
C 2.323735 0.391404 0.275420
C 1.878590 -2.072904 0.425281
C 3.742331 0.279582 0.388271
C -0.772784 -0.408475 -0.641964
C 3.245482 -2.447703 0.548624
C 1.799710 1.651930 -0.113045
C 2.652038 2.747211 -0.376882
C 0.935025 -3.109671 0.174217
C 4.586458 1.365043 0.080633
C -6.333386 -0.212160 1.108035
C -6.696595 -0.401639 -0.391220
C -2.202062 -0.818610 -0.407515
C 4.053081 2.614840 -0.292729
C 3.658985 -3.783682 0.385985
C -4.833480 0.090734 1.152650
C -5.392452 -0.235364 -1.180289
C 1.346482 -4.454845 0.050330
C 2.709451 -4.801541 0.142490
C 2.047109 4.077714 -0.710935
H -0.120506 0.502383 1.259635
H -0.397312 -1.242842 1.360406
H -0.734915 0.586507 -1.109628
H -0.321887 -1.135783 -1.338729
H 0.724865 1.800838 -0.221507
H -0.132063 -2.893122 0.081687
H 5.670511 1.233996 0.155080
H -6.524729 -1.115528 1.711520
H -6.879974 0.620115 1.582922
H -7.425127 0.343739 -0.753334
H -7.113204 -1.398964 -0.609942
H 4.710991 3.458197 -0.517688
H 4.723105 -4.028320 0.471846
H 0.589620 -5.225638 -0.127998
H 3.033839 -5.840969 0.034644


