%chk=000024377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024377

0 1
 S    3.916800     -0.7298000      1.0500000E-02
 O   -3.049600       1.707900     -0.8659000    
 O    4.137300      -1.046800       1.409200    
 O    3.305300      -1.698800     -0.8772000    
 N   -4.695800     -0.4630000     -1.3800000E-02
 N    3.106900      0.7873000     -8.2599998E-02
 C   -3.232400     -0.5796000     -4.0500000E-02
 C   -2.597100      0.8154000      0.1561000    
 C   -1.084600      0.8094000      9.2200004E-02
 C   -2.818000      -1.572400       1.047200    
 C  -0.3614000       1.301600       1.164500    
 C  -0.4587000      0.3102000      -1.036500    
 C    1.680500      0.7957000     -2.3900000E-02
 C    1.032300       1.294800       1.105900    
 C   0.9350000      0.3033000      -1.095100    
 C   -5.314200      -1.750600     -0.2771000    
 C    5.497600     -0.2845000     -0.6731000    
 H   -2.941100     -0.9704000      -1.023200    
 H   -2.926900       1.238100       1.114200    
 H   -3.125700      -2.598100      0.8204000    
 H   -1.728400      -1.612000       1.150100    
 H   -3.224500      -1.295300       2.026900    
 H   -5.008300     -0.1077000      0.8892000    
 H  -0.8545000       1.691500       2.050000    
 H   -1.021900     -6.2899999E-02  -1.886300    
 H    1.602400       1.679200       1.947700    
 H    1.424000     -7.3399998E-02  -1.989500    
 H   -4.021800       1.703100     -0.8443000    
 H   -5.269800      -2.427400      0.5815000    
 H   -4.892000      -2.244300      -1.159000    
 H   -6.377100      -1.588800     -0.4863000    
 H    3.526200       1.518000      0.5093000    
 H    6.135000      -1.171200     -0.6567000    
 H    5.354900      5.1600002E-02  -1.701700    
 H    5.940600      0.5029000     -6.0500000E-02


%chk=000024377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024377

0 1
S 4.005605 -0.865521 0.034037
O -3.141182 1.369905 -1.130819
O 4.777252 -1.251716 1.424522
O 2.936179 -1.889445 -0.648743
N -4.570260 -0.621806 -0.209437
N 3.146392 1.011749 0.168463
C -3.159746 -0.625732 0.283077
C -2.636148 0.857017 0.135725
C -1.119946 0.933070 0.159796
C -2.989933 -1.189908 1.707003
C -0.420520 1.176822 1.370159
C -0.378727 0.719383 -1.031988
C 1.728641 0.958823 0.203095
C 0.985511 1.165608 1.402833
C 1.025507 0.733407 -1.016052
C -5.053424 -1.889881 -0.803680
C 5.329412 -0.455009 -1.268852
H -2.584730 -1.243279 -0.434405
H -3.048943 1.447793 0.987549
H -3.377931 -2.222746 1.771569
H -1.926109 -1.212232 2.001532
H -3.536182 -0.569703 2.444702
H -5.213313 -0.274046 0.517508
H -0.982126 1.370873 2.291946
H -0.929041 0.579825 -1.967218
H 1.518122 1.330895 2.348087
H 1.598855 0.585428 -1.936282
H -4.000478 0.838329 -1.244789
H -5.005475 -2.760567 -0.112426
H -4.447444 -2.128606 -1.695171
H -6.100622 -1.766666 -1.130554
H 3.534057 1.289335 1.096349
H 5.867033 -1.394931 -1.456475
H 4.787447 -0.091067 -2.150760
H 5.973266 0.317600 -0.828602


