%chk=000046698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046698

0 1
 S    8.117400       3.328500      0.6137000    
 O    3.002400      -1.647100      0.1934000    
 N    8.019700      0.7008000     -0.2714000    
 C   -4.393200     -0.4354000      0.3600000    
 C   -5.619200      0.1734000     -0.3294000    
 C   -3.087700     -0.1942000     -0.4016000    
 C   -6.946500      4.4300001E-02  0.4263000    
 C   -1.864500     -0.8138000      0.2818000    
 C   -8.141300      0.6181000     -0.3396000    
 C  -0.5617000     -0.5941000     -0.4913000    
 C   -9.479200      0.4095000      0.3775000    
 C   0.6225000      -1.256900      0.2205000    
 C   -10.67850      0.9576000     -0.3970000    
 C    1.937400      -1.030700     -0.5159000    
 C   -11.96910      0.7930000      0.3916000    
 C    4.239700      -1.067900      7.8500003E-02
 C    4.586300     -0.3881000      -1.089200    
 C    5.152100      -1.158300       1.129900    
 C    5.845200      0.2011000      -1.205500    
 C    6.410900     -0.5691000       1.013500    
 C    6.757400      0.1108000     -0.1542000    
 C    8.049700       1.818200      0.1083000    
 H   -4.551000      -1.513800      0.4821000    
 H   -4.303800     -1.2200000E-02   1.367900    
 H   -5.427800       1.238800     -0.5111000    
 H   -5.728500     -0.2925000      -1.317100    
 H   -2.928400      0.8854000     -0.5134000    
 H   -3.181100     -0.6072000      -1.413600    
 H   -6.860000      0.5489000       1.396200    
 H   -7.130200      -1.016500      0.6368000    
 H   -1.764100     -0.3910000       1.289200    
 H   -2.032900      -1.890800      0.4057000    
 H   -8.192500      0.1486000      -1.329700    
 H   -7.981900       1.690600     -0.5056000    
 H  -0.6594000      -1.006700      -1.502500    
 H  -0.3760000      0.4815000     -0.5956000    
 H   -9.431400      0.8923000       1.361700    
 H   -9.627500     -0.6623000      0.5587000    
 H   0.4468000      -2.334900      0.3234000    
 H   0.7118000     -0.8695000       1.243300    
 H   -10.76890      0.4375000      -1.357400    
 H   -10.52430       2.020500     -0.6158000    
 H    1.880000      -1.464700      -1.521000    
 H    2.083800      5.4200001E-02 -0.5999000    
 H   -11.91970       1.332800       1.342700    
 H   -12.81470       1.188400     -0.1797000    
 H   -12.16640     -0.2624000      0.6046000    
 H    3.916900     -0.3191000      -1.941500    
 H    4.887500      -1.686900       2.041600    
 H    6.107900      0.7211000      -2.123400    
 H    7.114400     -0.6481000       1.838300    


%chk=000046698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046698

0 1
S 11.139774 0.399942 -1.088628
O 2.973716 -0.823872 0.701188
N 8.384985 0.012538 -0.519214
C -4.565754 -0.246998 0.384754
C -5.806835 0.244392 -0.393945
C -3.228819 0.092202 -0.312336
C -7.139845 -0.067794 0.323124
C -1.994521 -0.436344 0.452176
C -8.385311 0.395079 -0.466245
C -0.653044 -0.061040 -0.217220
C -9.716193 0.098344 0.261291
C 0.567789 -0.628314 0.543267
C -10.963441 0.548087 -0.533767
C 1.891813 -0.210616 -0.098108
C -12.287561 0.254221 0.204326
C 4.296048 -0.567000 0.328274
C 4.683619 0.239144 -0.773556
C 5.287612 -1.178007 1.140282
C 6.051126 0.431240 -1.054184
C 6.648363 -0.987516 0.860603
C 7.044859 -0.177158 -0.243169
C 9.555283 0.180253 -0.758774
H -4.636053 -1.345739 0.527851
H -4.570953 0.199041 1.401371
H -5.727525 1.339552 -0.558362
H -5.815002 -0.221089 -1.401816
H -3.146084 1.193241 -0.428588
H -3.233175 -0.329544 -1.339286
H -7.139169 0.415544 1.322590
H -7.209309 -1.160513 0.507362
H -2.007733 -0.040281 1.488898
H -2.063811 -1.540518 0.540413
H -8.393305 -0.099135 -1.460415
H -8.310946 1.485421 -0.662472
H -0.649105 -0.434862 -1.262482
H -0.575049 1.044725 -0.279487
H -9.713567 0.601152 1.251168
H -9.787699 -0.990453 0.466978
H 0.515746 -1.733502 0.570573
H 0.554400 -0.279662 1.593742
H -10.968081 0.041562 -1.520609
H -10.888814 1.634931 -0.743147
H 1.959610 -0.569697 -1.146459
H 2.007141 0.893464 -0.090326
H -12.319556 0.772889 1.181158
H -13.163070 0.586505 -0.383522
H -12.401548 -0.829366 0.397343
H 3.938414 0.717704 -1.414452
H 4.965663 -1.795963 1.983483
H 6.358295 1.052193 -1.901427
H 7.415023 -1.456682 1.484583


