%chk=000014380.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014380

0 1
 S   0.2377000       1.879400     -3.9000001E-02
 O   0.2407000       2.611100       1.208200    
 O   0.2508000       2.567000      -1.310900    
 N   -1.067900      0.7647000     -2.6400000E-02
 N    4.820700      -1.907600      5.4000001E-02
 C   -2.471100     -0.8615000      -1.350200    
 C   -2.766600     -0.4876000       1.357100    
 C   -3.648900      5.4800000E-02 -0.9893000    
 C   -2.551500      -2.170200     -0.5570000    
 C   -3.816800      0.2596000      0.5230000    
 C   -2.708500      -1.962600      0.9455000    
 C   -1.104700     -0.1780000      -1.176200    
 C   -1.378000      0.1704000       1.301300    
 C    1.597500      0.7553000     -1.1600000E-02
 C    2.127500      0.3013000      -1.208700    
 C    2.114000      0.3446000       1.206700    
 C    3.202600     -0.5872000      -1.186900    
 C    3.189200     -0.5438000       1.228700    
 C    3.733300      -1.009700      3.1800002E-02
 H   -2.556100      -1.129200      -2.412100    
 H   -3.083200     -0.4651000       2.408700    
 H   -3.541200       1.025800      -1.488200    
 H   -4.574600     -0.3829000      -1.385000    
 H   -1.672400      -2.795100     -0.7566000    
 H   -3.411200      -2.749600     -0.9189000    
 H   -3.797600       1.330600      0.7592000    
 H   -4.816000     -9.2000000E-02  0.8118000    
 H   -1.899700      -2.477300       1.478600    
 H   -3.634100      -2.456700       1.269200    
 H  -0.3226000     -0.9373000      -1.081100    
 H  -0.9133000      0.3902000      -2.094400    
 H   -1.385800      0.9734000       2.047500    
 H  -0.6009000     -0.5429000       1.593600    
 H    1.729600      0.6169000      -2.168300    
 H    1.702900      0.6923000       2.149400    
 H    3.617700     -0.9433000      -2.126300    
 H    3.593500     -0.8665000       2.184700    
 H    5.215100      -2.246600     -0.8134000    
 H    5.205400      -2.215000      0.9374000    


%chk=000014380-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014380

0 1
S 0.284244 1.714507 -0.257885
O 0.205607 2.680533 1.050737
O 0.272925 2.288090 -1.782752
N -1.232053 0.614891 -0.139044
N 5.279899 -1.692990 0.353097
C -2.871492 -0.764388 -1.413223
C -2.777078 -0.639645 1.363894
C -3.868106 0.266627 -0.819412
C -3.079408 -2.142730 -0.738105
C -3.886500 0.254423 0.748338
C -2.872148 -2.089020 0.808506
C -1.392909 -0.260672 -1.319940
C -1.358829 -0.011906 1.193756
C 1.824500 0.654594 -0.069464
C 2.404117 0.087497 -1.220436
C 2.371014 0.477110 1.215817
C 3.559647 -0.700089 -1.077079
C 3.527151 -0.310264 1.355882
C 4.136000 -0.915213 0.213089
H -3.086932 -0.880844 -2.494785
H -2.937471 -0.694364 2.460390
H -3.605126 1.275412 -1.181937
H -4.879012 0.030321 -1.205699
H -2.403230 -2.891851 -1.193627
H -4.111125 -2.475399 -0.965656
H -3.778197 1.286183 1.129061
H -4.863635 -0.122566 1.109750
H -1.959788 -2.645741 1.098850
H -3.716607 -2.599866 1.310273
H -0.702194 -1.137738 -1.303157
H -1.154619 0.357025 -2.203751
H -1.214718 0.792159 1.937247
H -0.589992 -0.802358 1.370799
H 1.975160 0.288836 -2.207737
H 1.915388 0.975254 2.078105
H 4.029996 -1.142451 -1.962997
H 3.971972 -0.451928 2.347763
H 5.731319 -2.108594 -0.456660
H 5.707728 -1.833145 1.263892


