%chk=000025689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025689

0 1
 S  -2.7999999E-03  -3.596100      0.7071000    
 O  -2.4400000E-02  -3.719700       2.157700    
 O   5.9000000E-02  -4.793600     -0.1207000    
 O   -4.788200     -0.4790000     -0.7630000    
 O    4.782600     -0.4775000     -0.7598000    
 N   -4.849600       4.926800      0.5409000    
 N    4.846100       4.929500      0.5387000    
 C   -1.419900      -2.673300      0.2713000    
 C    1.435600      -2.658900      0.2656000    
 C   -1.986000      -1.789400       1.190100    
 C    1.979600      -1.788800       1.191500    
 C   -1.985900      -2.819600     -0.9953000    
 C    1.981000      -2.819000     -0.9940000    
 C   -3.664600      -1.211300     -0.4179000    
 C    3.678000      -1.197200     -0.4215000    
 C   -3.118100      -1.052300      0.8426000    
 C    3.111300      -1.051000      0.8444000    
 C   -3.117900      -2.082400      -1.342800    
 C    3.112900      -2.081300      -1.340800    
 C   -4.803400      0.8441000     -0.4448000    
 C    4.797900      0.8687000     -0.4357000    
 C   -3.680500       1.634000     -0.6917000    
 C    3.675000       1.635600     -0.6887000    
 C   -5.941500       1.410100      0.1297000    
 C    5.936400       1.411900      0.1316000    
 C   -4.833600       3.555700      0.2103000    
 C    4.829800       3.558300      0.2090000    
 C   -3.695600       2.989800     -0.3640000    
 C    3.691100       2.991900     -0.3637000    
 C   -5.956600       2.765900      0.4572000    
 C    5.952500       2.768300      0.4567000    
 H   -1.561500      -1.655800       2.181100    
 H    1.550900      -1.660600       2.180400    
 H   -1.557700      -3.497400      -1.728500    
 H    1.551300      -3.493900      -1.727500    
 H   -3.552800     -0.3876000       1.583200    
 H    3.542700     -0.3865000       1.588400    
 H   -3.556500      -2.195800      -2.329500    
 H    3.548800      -2.197300      -2.329400    
 H   -2.788500       1.225500      -1.159300    
 H    2.785000       1.223800      -1.155500    
 H   -6.818900      0.7997000      0.3249000    
 H    6.810800      0.7980000      0.3250000    
 H   -2.816100       3.595900     -0.5659000    
 H    2.811800       3.598100     -0.5660000    
 H   -6.849500       3.195200      0.9044000    
 H    6.845900       3.197800      0.9028000    
 H   -4.035300       5.499700      0.3636000    
 H   -5.674100       5.337200      0.9587000    
 H    5.671900       5.340800      0.9528000    
 H    4.033000       5.503100      0.3584000    


%chk=000025689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025689

0 1
S 0.001241 -2.648679 1.012275
O -0.000131 -2.254814 2.605132
O 0.003117 -4.194207 0.464040
O -4.930588 -0.101198 -1.430139
O 4.930978 -0.094357 -1.426670
N -8.400039 3.590178 1.096430
N 8.391163 3.603315 1.103518
C -1.511641 -1.810889 0.254090
C 1.513140 -1.808620 0.255298
C -2.092492 -0.736130 0.944588
C 2.088766 -0.729163 0.942960
C -2.044709 -2.340192 -0.934793
C 2.051013 -2.340955 -0.930046
C -3.797150 -0.643260 -0.799703
C 3.797766 -0.638082 -0.797195
C -3.253236 -0.138586 0.408879
C 3.248983 -0.130157 0.407873
C -3.200788 -1.741755 -1.470035
C 3.206661 -1.741068 -1.464670
C -5.752970 0.837849 -0.727379
C 5.750822 0.846317 -0.723007
C -5.897001 2.130451 -1.268578
C 5.895101 2.138358 -1.265572
C -6.493462 0.447939 0.409539
C 6.488778 0.458584 0.416259
C -7.528169 2.682259 0.492810
C 7.521494 2.693838 0.499072
C -6.779994 3.048047 -0.664786
C 6.775807 3.057481 -0.660848
C -7.370694 1.365003 1.018817
C 7.363741 1.377219 1.026496
H -1.660731 -0.394733 1.891253
H 1.653641 -0.385125 1.887118
H -1.584320 -3.215017 -1.405237
H 1.594427 -3.219186 -1.397876
H -3.727775 0.702996 0.920789
H 3.719666 0.714960 0.917542
H -3.661279 -2.111234 -2.390501
H 3.670736 -2.112869 -2.382396
H -5.325133 2.405186 -2.160274
H 5.325056 2.411392 -2.158966
H -6.389573 -0.566528 0.808849
H 6.384688 -0.555361 0.816822
H -6.892428 4.052310 -1.090347
H 6.888414 4.061307 -1.087389
H -7.944835 1.059060 1.901467
H 7.935813 1.072923 1.911056
H -8.522567 4.525020 0.719464
H -8.940327 3.328666 1.915437
H 8.929193 3.343588 1.924575
H 8.513229 4.538018 0.726060


