%chk=000005137.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005137

0 1
 S   -1.466000      0.4162000      0.2460000    
 O    2.676800      -1.302200       2.040200    
 O  -0.3806000      -2.884500      -1.258100    
 O    4.921600       1.344400      -2.202400    
 O    5.788500       2.607000     -0.5304000    
 O   -3.815600      -2.189800     -0.5694000    
 O   -4.713500      -4.096800      -1.409300    
 N    1.257800      -1.330800      0.2014000    
 N   -1.763100      -3.361600      0.5429000    
 N    7.187800      0.4034000      0.3547000    
 C   8.9400001E-02  -1.840100      0.8814000    
 C    4.854100     -0.3010000      0.5858000    
 C    3.514300     -0.5592000     -0.1067000    
 C  -0.7665000     -0.7236000       1.484600    
 C    5.941500      0.1791000     -0.3819000    
 C    2.464400      -1.103300      0.8472000    
 C  -0.6833000      -2.746400     -7.4600004E-02
 C   -2.285900       1.556100       1.382400    
 C    5.567300       1.505500      -1.018000    
 C   -2.993000       2.668500      0.6583000    
 C   -2.661500      -4.247500     -0.1599000    
 C   -4.324300       2.513400      0.2716000    
 C   -2.318000       3.855600      0.3736000    
 C   -4.980500       3.545100     -0.3998000    
 C   -2.974200       4.887300     -0.2977000    
 C   -3.832100      -3.526900     -0.7776000    
 C   -4.305400       4.731900     -0.6844000    
 H   0.4393000      -2.478300       1.703800    
 H    5.187300      -1.223100       1.080500    
 H    4.702300      0.4414000       1.381400    
 H    3.116400      0.3684000     -0.5331000    
 H    3.646000      -1.282000     -0.9206000    
 H  -0.1513000     -0.1314000       2.171700    
 H   -1.595800      -1.140500       2.064400    
 H    1.178500      -1.109900     -0.7874000    
 H    6.126500     -0.5626000      -1.166900    
 H   -1.544700       1.979300       2.070300    
 H   -3.005400       1.001600       1.996000    
 H   -1.933000      -3.208400       1.532000    
 H    7.477200     -0.4629000      0.8073000    
 H    7.932300      0.6431000     -0.2993000    
 H   -3.041200      -4.968400      0.5695000    
 H   -2.113000      -4.765400     -0.9523000    
 H   -4.861300       1.593100      0.4862000    
 H   -1.280600       3.988900      0.6686000    
 H   -6.016800       3.424100     -0.7012000    
 H   -2.448600       5.811500     -0.5197000    
 H    4.670500       2.204500      -2.601700    
 H   -4.816300       5.535200      -1.207200    
 H   -4.586200      -1.743700     -0.9812000    


%chk=000005137-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005137

0 1
S -2.144072 -0.033621 0.573252
O 1.839465 -1.160874 2.271817
O -0.587860 -2.895214 -1.586247
O 4.372232 1.015159 -1.983873
O 5.592128 2.885134 -1.371932
O -4.383962 -4.783327 0.754547
O -5.049328 -5.584152 -1.328090
N 0.867002 -1.626967 0.217932
N -2.178980 -3.658824 -0.090167
N 5.480081 2.265459 1.281189
C -0.308855 -2.286938 0.788318
C 3.551522 0.773242 0.820880
C 3.096661 -0.581872 0.233013
C -1.219647 -1.322206 1.595250
C 4.968385 1.243136 0.373507
C 1.893357 -1.138642 0.997454
C -1.036259 -2.966912 -0.397455
C -0.810846 1.348338 0.441965
C 5.016951 1.825115 -1.040168
C -1.477444 2.669803 0.146396
C -2.968571 -4.290454 -1.148694
C -2.025396 3.456680 1.193264
C -1.574505 3.143972 -1.187127
C -2.648288 4.692234 0.914287
C -2.200436 4.379189 -1.469956
C -4.230104 -4.956771 -0.631674
C -2.737949 5.157619 -0.419339
H 0.030048 -3.068985 1.503961
H 3.581834 0.668510 1.921268
H 2.819535 1.571978 0.600210
H 2.890615 -0.497167 -0.846884
H 3.922866 -1.314335 0.347110
H -0.600575 -0.809309 2.349411
H -2.006124 -1.885190 2.129707
H 0.932568 -1.681499 -0.807258
H 5.611034 0.323653 0.319308
H -0.108563 1.055156 -0.352918
H -0.287446 1.353007 1.412920
H -2.555534 -3.691064 0.859529
H 5.719640 1.956733 2.221781
H 6.088190 2.972837 0.865435
H -2.372446 -5.051378 -1.688040
H -3.259834 -3.546532 -1.915989
H -1.963240 3.094598 2.226449
H -1.159018 2.541498 -2.004200
H -3.061970 5.292341 1.732553
H -2.266607 4.733592 -2.504728
H 4.475416 1.429764 -2.883680
H -3.220866 6.117100 -0.636113
H -5.222703 -5.219311 1.062816


