%chk=000054894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054894

0 1
 S   -8.075400      -2.027500      0.3494000    
 F    9.480000      -1.611100     -0.3234000    
 F    7.710900      -2.845800     -0.5466000    
 F    8.146100      -1.299400      -2.012100    
 O   -2.783500      -1.189400      0.3577000    
 O   -4.296100       2.427300     -0.4665000    
 O   -9.367900      -1.615000     -0.1789000    
 O   -7.464000      -3.263500     -0.1197000    
 N    1.169800       1.045200     -0.3965000    
 N    3.899800      0.6734000      0.3569000    
 N   -2.475300      0.6415000      -1.032900    
 C    1.926500       2.143400      0.2172000    
 C    1.621200     -0.2396000      0.1514000    
 C    3.424900       1.999100     -5.8800001E-02
 C    3.109900     -0.4635000     -0.1257000    
 C  -0.2645000       1.223000     -0.1729000    
 C    5.267700      0.5129000      0.6045000    
 C   -1.061400      0.4716000      -1.229200    
 C    6.006400     -0.4126000     -0.1327000    
 C    5.892600       1.278300       1.589200    
 C    7.369900     -0.5727000      0.1146000    
 C    7.256200       1.118900       1.836300    
 C    7.994800      0.1931000       1.099100    
 C   -3.231800     -0.2165000     -0.2432000    
 C   -4.685400      7.9599999E-02 -0.1629000    
 C    8.160300      -1.562100     -0.6728000    
 C   -5.582800     -0.9706000      3.0099999E-02
 C   -6.951500     -0.7133000      0.1081000    
 C   -5.156700       1.387500     -0.2777000    
 C   -7.422800      0.5948000     -6.5000001E-03
 C   -6.525500       1.645300     -0.1992000    
 C   -8.224800      -2.161600       2.116600    
 C   -4.867400       3.729400     -0.5728000    
 H    1.598900       3.105200     -0.1960000    
 H    1.752100       2.175600       1.301200    
 H    1.444400     -0.2820000       1.235000    
 H    1.074100      -1.075400     -0.2974000    
 H    3.947500       2.803700      0.4712000    
 H    3.626200       2.134000      -1.129500    
 H    3.266200     -0.5968000      -1.203900    
 H    3.413500      -1.389000      0.3793000    
 H  -0.5334000       2.284600     -0.2634000    
 H  -0.5611000      0.9240000      0.8413000    
 H  -0.8423000     -0.6006000      -1.221500    
 H  -0.8285000      0.8527000      -2.230000    
 H    5.546900      -1.011500     -0.9147000    
 H    5.331700       1.994200       2.184400    
 H   -2.923100       1.409600      -1.522700    
 H    7.742000       1.712600       2.605100    
 H    9.055400      8.2400002E-02   1.306900    
 H   -5.214500      -1.989300      0.1208000    
 H   -8.484100      0.8182000      5.8699999E-02
 H   -6.964900       2.633600     -0.2775000    
 H   -8.609000      -1.219800       2.512900    
 H   -7.244900      -2.390500       2.539900    
 H   -8.924200      -2.970900       2.337100    
 H   -5.516400       3.815700      -1.450900    
 H   -5.373000       4.025900      0.3525000    
 H   -4.040300       4.431700     -0.7205000    


%chk=000054894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054894

0 1
S -7.453238 -2.517849 0.603172
F 9.003685 -2.453647 -0.663244
F 7.414438 -3.596458 0.472074
F 6.962531 -2.801046 -1.597827
O -2.499293 -0.710025 -0.297161
O -4.885643 2.723564 -1.097575
O -9.064237 -2.305017 0.386842
O -6.629893 -3.735077 -0.110233
N 1.166598 1.543051 -0.068767
N 3.899026 0.737969 0.455782
N -2.499311 1.487363 -1.045923
C 2.038216 2.369601 0.795546
C 1.516283 0.112915 0.110784
C 3.510128 2.168020 0.396654
C 2.978617 -0.150410 -0.287361
C -0.281708 1.805522 0.095103
C 5.253111 0.376187 0.608210
C -1.040630 1.498075 -1.223274
C 5.778227 -0.810794 0.013490
C 6.151734 1.165523 1.395630
C 7.123408 -1.184766 0.219749
C 7.491581 0.780345 1.580238
C 8.001401 -0.403367 1.002436
C -3.137722 0.355970 -0.587763
C -4.648150 0.403073 -0.448432
C 7.615659 -2.469055 -0.382005
C -5.252968 -0.812607 -0.046480
C -6.638954 -0.873875 0.127410
C -5.501019 1.528489 -0.685970
C -7.488710 0.217393 -0.106605
C -6.906370 1.431814 -0.519030
C -7.154757 -2.675264 2.489294
C -5.727036 3.894350 -1.385340
H 1.776897 3.435297 0.659161
H 1.914650 2.115171 1.879015
H 1.366811 -0.201878 1.174183
H 0.856735 -0.513457 -0.514247
H 4.145596 2.762391 1.070531
H 3.651324 2.554073 -0.637879
H 3.091470 -0.013847 -1.386657
H 3.210948 -1.200536 -0.041349
H -0.421614 2.870706 0.359837
H -0.730690 1.195858 0.913631
H -0.735897 0.502945 -1.589419
H -0.771873 2.244633 -1.990058
H 5.160820 -1.431137 -0.639406
H 5.799778 2.076467 1.887970
H -3.070144 2.316391 -1.243030
H 8.146624 1.407945 2.194007
H 9.043336 -0.701651 1.143714
H -4.594846 -1.678228 0.093993
H -8.572240 0.102604 0.006993
H -7.552616 2.291484 -0.712964
H -7.629017 -1.805640 2.964093
H -6.067027 -2.707704 2.639638
H -7.640541 -3.619958 2.770894
H -6.433367 3.678365 -2.207515
H -6.276509 4.216399 -0.481906
H -5.024211 4.681344 -1.694254


