%chk=000003618.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003618

0 1
 S  -0.9028000      -2.203800      0.9170000    
 O   -1.042400      -3.323000      9.3000000E-03
 O   -1.039300      -2.383600       2.347100    
 O   -3.639400      -2.290300      -2.355500    
 O   -4.429000      -1.690800     -0.3194000    
 N   -1.940600     -0.9413000      0.4129000    
 C   -2.258000     -0.8703000      -1.042900    
 C   -2.405400      0.5476000      -1.599000    
 C   -1.803200      0.3505000       1.142500    
 C   -3.114200       1.476300     -0.6515000    
 C   -2.815100       1.376200      0.7146000    
 C   -3.540300      -1.634200      -1.166000    
 C   0.6667000      -1.455100      0.6118000    
 C   -4.007900       2.452600      -1.100100    
 C   -3.411700       2.253700       1.624100    
 C   -4.611800       3.316200     -0.1861000    
 C   -4.314300       3.216900       1.173000    
 C    1.272700     -0.7174000       1.615500    
 C    1.265900      -1.617200     -0.6267000    
 C    3.129000     -0.2793000      0.1325000    
 C    2.512300     -0.1253000       1.374100    
 C    2.505600      -1.025100     -0.8680000    
 C    4.414600      0.3351000     -0.1179000    
 C    4.479900       1.627800     -0.6377000    
 C    5.588600     -0.3650000      0.1599000    
 C    5.719200       2.220500     -0.8797000    
 C    6.827900      0.2277000     -8.2099997E-02
 C    6.893200       1.520500     -0.6018000    
 H   -1.492100      -1.389600      -1.628000    
 H   -2.928900      0.5186000      -2.562600    
 H   -1.409200      0.9688000      -1.787600    
 H  -0.8198000      0.7938000      0.9636000    
 H   -1.916600      0.1581000       2.215300    
 H   -4.237600       2.547600      -2.157700    
 H   -3.177600       2.195100       2.683500    
 H   -5.309700       4.072200     -0.5343000    
 H   -4.781000       3.895900       1.880800    
 H   0.8095000     -0.5838000       2.588300    
 H   0.7994000      -2.193400      -1.419400    
 H    2.984000      0.4535000       2.164700    
 H    2.972300      -1.154800      -1.841700    
 H   -4.482200      -2.787000      -2.428400    
 H    3.574400       2.187600     -0.8600000    
 H    5.555700      -1.373600      0.5653000    
 H    5.770200       3.227100      -1.284400    
 H    7.742100     -0.3173000      0.1342000    
 H    7.858100       1.982000     -0.7900000    


%chk=000003618-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003618

0 1
S -0.699266 -1.995566 0.429577
O -0.888983 -3.107322 -0.753144
O -0.917771 -2.336552 2.009423
O -4.783296 -2.070283 -1.700886
O -4.095327 -2.179782 0.515339
N -1.767329 -0.504334 -0.119510
C -2.753733 -0.887724 -1.150304
C -3.243645 0.441582 -1.784421
C -2.313772 0.220277 1.061041
C -3.709445 1.436810 -0.731152
C -3.240359 1.347257 0.605623
C -3.917690 -1.760841 -0.645734
C 1.030821 -1.268951 0.269290
C -4.597080 2.484245 -1.083324
C -3.660575 2.305476 1.560609
C -5.011672 3.437961 -0.130876
C -4.538982 3.348115 1.200029
C 1.674240 -0.831822 1.437166
C 1.627316 -1.227943 -1.000832
C 3.625562 -0.226934 0.049753
C 2.977423 -0.305796 1.314282
C 2.931492 -0.702957 -1.099739
C 5.002755 0.331908 -0.069735
C 5.394390 1.062766 -1.225494
C 5.957998 0.150520 0.968392
C 6.695879 1.595345 -1.339275
C 7.259975 0.682126 0.855060
C 7.635638 1.407858 -0.299252
H -2.235204 -1.489716 -1.918365
H -4.049548 0.217689 -2.505081
H -2.393406 0.866717 -2.350458
H -1.459316 0.646365 1.618809
H -2.859409 -0.462333 1.744248
H -4.964720 2.548179 -2.115042
H -3.298903 2.230418 2.593612
H -5.698377 4.241145 -0.419631
H -4.855185 4.082083 1.949251
H 1.174116 -0.916462 2.407377
H 1.102589 -1.624369 -1.875559
H 3.485506 0.070770 2.208047
H 3.429511 -0.694349 -2.074810
H -5.504225 -2.673419 -1.372399
H 4.666862 1.244750 -2.024716
H 5.692302 -0.438455 1.853625
H 6.973778 2.163705 -2.233730
H 7.983782 0.521855 1.661699
H 8.646482 1.820688 -0.387283


