%chk=000003647.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003647

0 1
 S   -3.106900      0.9830000     -6.0000001E-03
 S    2.249400       1.680800     -7.0200004E-02
 F    2.424400      -2.762700     -1.0900000E-02
 F    3.165100      -1.057900      -1.128500    
 F    3.181900      -1.019600       1.045800    
 O   -3.424000       1.302900       1.371700    
 O   -3.125500       1.991500      -1.046700    
 O    3.350800      0.9385000     -0.6779000    
 O    1.749100       2.900100     -0.6971000    
 N   -2.414000      -2.037300      4.1800000E-02
 N   -4.056200     -0.3411000     -0.5206000    
 N    2.708400       2.058100       1.544300    
 C   -1.499600      0.2519000      1.2900000E-02
 C   -1.353600      -1.144000      3.7000000E-02
 C   0.8849000      0.5863000     -3.0800000E-02
 C    1.065300     -0.7939000     -1.4000000E-02
 C  -0.4013000       1.116000     -2.0900000E-02
 C   -3.787800      -1.608000      0.1832000    
 C  -4.2500000E-02  -1.646600      1.5500000E-02
 C    2.432000      -1.398000     -2.8700000E-02
 H  -0.5631000       2.190200     -2.4800001E-02
 H   -4.449800      -2.378000     -0.2258000    
 H   -4.038900      -1.495000       1.243700    
 H   0.1045000      -2.725500      2.3100000E-02
 H   -2.211300      -3.027900      0.1122000    
 H   -4.226400     -0.4336000      -1.530000    
 H    2.558400       3.035100       1.830000    
 H    2.367000       1.412700       2.269600    


%chk=000003647-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003647

0 1
S -3.271182 1.003652 0.009651
S 2.219097 1.887633 -0.063516
F 2.335659 -2.806220 0.655684
F 2.999470 -1.625139 -1.146943
F 3.334487 -0.801867 0.946765
O -3.851776 1.074893 1.519012
O -3.307060 2.263313 -1.000944
O 3.374117 1.379213 -1.081565
O 1.439417 3.296866 -0.293089
N -2.475494 -2.059465 0.026619
N -4.171126 -0.446591 -0.778301
N 2.799722 1.977130 1.661936
C -1.544191 0.242958 0.027832
C -1.407112 -1.179554 0.062800
C 0.846670 0.571212 0.032402
C 1.047458 -0.832353 0.090455
C -0.445987 1.109878 0.006180
C -3.903266 -1.636006 0.036687
C -0.070429 -1.682160 0.090787
C 2.410820 -1.493968 0.123627
H -0.572348 2.198850 -0.060505
H -4.516478 -2.469606 -0.345312
H -4.233843 -1.399401 1.066317
H 0.085938 -2.764833 0.132518
H -2.272146 -3.059532 0.052279
H -3.884411 -0.500102 -1.772405
H 2.961140 2.969787 1.895701
H 3.613155 1.359411 1.803228


