%chk=000004314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004314

0 1
 S  -0.3873000     -0.7855000      -1.350900    
 O   0.1969000      -2.111200      -1.423100    
 O  -0.7412000     -7.7000000E-02  -2.565800    
 N   0.6024000      0.2156000     -0.3978000    
 N    8.382700      0.2088000     -0.4577000    
 C    3.458400     -3.6200002E-02  0.4484000    
 C    2.316200      0.4088000       1.368000    
 C    4.825400      0.5151000      0.8664000    
 C   0.9758000     -0.2025000      0.9709000    
 C    5.973500      4.6200000E-02 -3.1199999E-02
 C   -1.853200     -0.8885000     -0.3684000    
 C   -2.713100      0.1999000     -0.1870000    
 C    7.304000      0.6489000      0.4194000    
 C   -3.866400      3.4200002E-02  0.6164000    
 C   -2.109300      -2.121100      0.2223000    
 C   -2.462400       1.448300     -0.7795000    
 C   -4.117300      -1.214300       1.208800    
 C   -3.243600      -2.284100       1.012100    
 C   -4.735000       1.121700      0.8036000    
 C   -3.336200       2.517900     -0.5825000    
 C   -4.470300       2.355000      0.2077000    
 H    3.254100      0.2815000     -0.5811000    
 H    3.504700      -1.132400      0.4382000    
 H    2.243200       1.503200       1.347500    
 H    2.544800      0.1209000       2.400900    
 H    5.031600      0.2135000       1.900900    
 H    4.783500       1.611400      0.8589000    
 H    1.036000      -1.293800       1.034900    
 H   0.2017000      0.1417000       1.664800    
 H    6.030100      -1.049200     -7.1000000E-03
 H    5.765400      0.3366000      -1.068600    
 H   0.5891000       1.228900     -0.5672000    
 H    7.249800       1.742600      0.3955000    
 H    7.527200      0.3479000       1.448800    
 H   -1.453000      -2.976600      9.8499998E-02
 H   -1.587300       1.673400      -1.374800    
 H   -4.997600      -1.364200       1.830400    
 H   -3.449100      -3.243900       1.477300    
 H   -5.627200       1.017200       1.417500    
 H   -3.127100       3.481400      -1.038600    
 H    9.269000      0.5759000     -0.1137000    
 H    8.461100     -0.8068000     -0.4225000    
 H   -5.148900       3.188700      0.3623000    


%chk=000004314-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004314

0 1
S -0.508477 -0.958634 -1.393762
O 0.002947 -2.500570 -1.379843
O -0.706148 -0.123589 -2.773738
N 0.761273 -0.018952 -0.447161
N 8.596211 0.544369 -0.395894
C 3.668591 -0.237203 0.445521
C 2.453011 0.075117 1.344001
C 4.952611 0.485778 0.909599
C 1.139639 -0.590102 0.868529
C 6.175632 0.169210 0.020599
C -2.121428 -0.924564 -0.351997
C -2.902913 0.270378 -0.229232
C 7.462481 0.876974 0.491113
C -4.047312 0.193639 0.667578
C -2.417623 -2.121252 0.288652
C -2.638463 1.503895 -0.915168
C -4.347466 -1.040759 1.334178
C -3.561530 -2.177979 1.144488
C -4.858031 1.360303 0.859676
C -3.452384 2.618542 -0.698865
C -4.564526 2.553236 0.197832
H 3.429202 0.044365 -0.597100
H 3.843328 -1.333021 0.439657
H 2.308475 1.173903 1.411679
H 2.646541 -0.276760 2.378122
H 5.177045 0.206414 1.961322
H 4.776417 1.582441 0.909920
H 1.304234 -1.672206 0.716241
H 0.345863 -0.461163 1.637497
H 6.345300 -0.929002 0.010669
H 5.976662 0.466421 -1.026804
H 0.471048 0.974384 -0.433050
H 7.305811 1.972745 0.447860
H 7.636697 0.620424 1.566994
H -1.778856 -2.995889 0.125164
H -1.830447 1.546128 -1.653374
H -5.218115 -1.078302 1.999333
H -3.807570 -3.117169 1.649596
H -5.718626 1.296527 1.535865
H -3.246630 3.550986 -1.235401
H 9.446153 1.090710 -0.226099
H 8.793019 -0.460386 -0.452670
H -5.190548 3.438513 0.351370


