%chk=000064305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064305

0 1
 S    3.464600      0.9662000     -7.1099997E-02
 P    5.343100      4.1700002E-02 -6.8099998E-02
 O    5.563400     -0.7207000       1.347100    
 O    6.488300       1.189100      1.3000000E-03
 O    5.507600     -0.8716000      -1.252400    
 N  -0.1035000     -0.9583000      5.4000001E-02
 C   -1.477700     -0.4610000      2.2000000E-02
 C   -3.170700      0.9946000       1.207500    
 C   -3.185800      0.8429000      -1.309300    
 C   -3.914500      -1.133300      7.7200003E-02
 C   -1.721800      0.4741000       1.226700    
 C   -1.736800      0.3229000      -1.283200    
 C   -2.463900      -1.648400      9.9500000E-02
 C   -3.414000       1.766500     -0.1005000    
 C   -4.138400     -0.1990000       1.278500    
 C   -4.153400     -0.3499000      -1.224900    
 C   0.8450000      0.1434000     -3.9999999E-04
 C    2.268700     -0.3991000     -3.8000001E-03
 H   -3.338100       1.656600       2.064600    
 H   -3.364000       1.397300      -2.237600    
 H   -4.608200      -1.979600      0.1324000    
 H   -1.082800       1.362900       1.215600    
 H   -1.529900     -5.1700000E-02   2.171200    
 H   -1.556800     -0.3137000      -2.159400    
 H   -1.097200       1.204400      -1.389700    
 H   -2.294300      -2.228700       1.016200    
 H   -2.305900      -2.335300     -0.7426000    
 H   -4.438300       2.158700     -0.1181000    
 H   -2.741800       2.631500     -0.1567000    
 H   -3.985600     -0.7497000       2.214800    
 H   -5.175000      0.1597000       1.285400    
 H   -5.190300      6.0999999E-03  -1.262500    
 H   -4.011500      -1.009100      -2.090100    
 H   5.4600000E-02  -1.587100     -0.7332000    
 H   0.7671000      0.7928000      0.8755000    
 H   0.7387000      0.7470000     -0.9048000    
 H    2.437900      -1.046400     -0.8710000    
 H    2.464800     -0.9857000      0.9002000    
 H    6.351100      -1.295000       1.456000    
 H    7.426900      0.9259000     -0.1082000    


%chk=000064305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064305

0 1
S 3.753752 0.881416 -0.715018
P 5.431595 -0.200254 0.302557
O 4.764385 -0.411918 1.895759
O 6.516654 1.140758 0.438394
O 6.107044 -1.534821 -0.254186
N -0.037523 -0.764706 -0.538463
C -1.435168 -0.309475 -0.285193
C -2.989955 0.873165 1.355355
C -3.498058 0.950559 -1.129251
C -3.782147 -1.215872 0.160422
C -1.516613 0.488594 1.046955
C -2.023315 0.567691 -1.437449
C -2.307458 -1.588945 -0.144150
C -3.553046 1.747939 0.202294
C -3.842616 -0.416932 1.490807
C -4.346721 -0.343303 -0.993386
C 1.020635 0.230838 -0.798046
C 2.353832 -0.368684 -0.310625
H -3.023887 1.442436 2.305071
H -3.897332 1.573602 -1.954090
H -4.380466 -2.143467 0.253914
H -0.904717 1.410925 0.985027
H -1.094204 -0.133082 1.859856
H -1.966756 0.003791 -2.391991
H -1.411987 1.484858 -1.560452
H -1.888081 -2.219761 0.663468
H -2.254287 -2.176368 -1.086050
H -4.598196 2.041731 0.425750
H -2.963653 2.682670 0.111213
H -3.461298 -1.038802 2.325336
H -4.893083 -0.155022 1.728389
H -5.404684 -0.083277 -0.789608
H -4.327083 -0.911266 -1.945493
H -0.017711 -1.531738 -1.224679
H 0.805479 1.145711 -0.219770
H 1.107919 0.534532 -1.867134
H 2.583830 -1.313700 -0.829647
H 2.339046 -0.522176 0.777990
H 5.084506 -1.240139 2.341895
H 7.472968 0.883491 0.362326


