%chk=000070238.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070238

0 1
 S    6.661900      -1.015600     -5.6699999E-02
 S    8.224100      0.3798000     -3.8600001E-02
 O    9.574500     -0.5321000     -8.0200002E-02
 O    8.152200       1.127900      -1.279000    
 O    8.183900       1.059200       1.242000    
 N    2.752300      6.5499999E-02  2.1500001E-02
 C   -3.549200     -0.4525000      6.7500003E-02
 C   -4.773100      0.4658000      8.3200000E-02
 C   -2.218700      0.3057000      8.0799997E-02
 C   -6.071400     -0.3400000     -4.4999998E-03
 C  -0.9949000     -0.6130000      8.9900002E-02
 C   -7.298200      0.5740000      4.3600000E-02
 C   0.3053000      0.1955000      7.9899997E-02
 C   -8.594000     -0.2310000     -7.7399999E-02
 C    1.526100     -0.7228000      5.1700000E-02
 C   -9.853900      0.6341000     -3.7000000E-03
 C    3.924100     -0.7978000     -1.6200000E-02
 C   -11.14210     -0.1515000     -0.1947000    
 C    5.190900      4.8700001E-02 -9.2000002E-03
 H   -3.590000      -1.122500      0.9353000    
 H   -3.585000      -1.089100     -0.8255000    
 H   -4.718100       1.165100     -0.7597000    
 H   -4.768200       1.064700       1.001900    
 H   -2.173600      0.9610000     -0.7980000    
 H   -2.187100      0.9571000      0.9630000    
 H   -6.080500     -0.9199000     -0.9355000    
 H   -6.116400      -1.057300      0.8241000    
 H   -1.024500      -1.255300      0.9782000    
 H   -1.027200      -1.270800     -0.7870000    
 H   -7.302000       1.135900      0.9854000    
 H   -7.246100       1.306600     -0.7707000    
 H   0.3418000      0.8389000      0.9681000    
 H   0.3185000      0.8548000     -0.7974000    
 H   -8.589500     -0.7777000      -1.028600    
 H   -8.631400     -0.9838000      0.7198000    
 H    1.472200      -1.363900     -0.8365000    
 H    1.512400      -1.371400      0.9362000    
 H   -9.802600       1.415700     -0.7712000    
 H   -9.887900       1.143800      0.9665000    
 H    2.792700      0.6692000      0.8424000    
 H    3.896900      -1.415100     -0.9228000    
 H    3.922200      -1.468200      0.8528000    
 H   -11.24680     -0.9215000      0.5761000    
 H   -12.00750      0.5153000     -0.1310000    
 H   -11.15950     -0.6407000      -1.173700    
 H    5.213300      0.7153000     -0.8782000    
 H    5.237800      0.6667000      0.8940000    
 H    10.42310     -3.0099999E-02 -7.7000000E-02


%chk=000070238-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070238

0 1
S 7.125025 -0.267545 0.968126
S 7.128340 0.497529 -1.384714
O 6.462519 -1.095102 -2.109665
O 5.983212 1.633576 -1.562357
O 8.596701 0.755754 -2.006524
N 2.993214 -0.024034 1.202814
C -3.306632 -0.508987 0.106315
C -4.565932 0.386174 0.145459
C -2.013195 0.244162 0.491094
C -5.867854 -0.370258 -0.202691
C -0.744190 -0.633706 0.404196
C -7.121561 0.533639 -0.188355
C 0.532852 0.112175 0.851742
C -8.427702 -0.223303 -0.519386
C 1.808958 -0.737266 0.690765
C -9.678857 0.684936 -0.514591
C 4.312324 -0.630322 0.976375
C -10.980477 -0.079731 -0.839531
C 5.404016 0.406093 1.288068
H -3.447287 -1.370604 0.792065
H -3.193718 -0.937167 -0.911740
H -4.434243 1.232852 -0.560328
H -4.664308 0.836776 1.155488
H -1.891911 1.126905 -0.170477
H -2.115482 0.641003 1.523017
H -5.764426 -0.836662 -1.204919
H -6.009864 -1.205256 0.515036
H -0.881769 -1.541254 1.028353
H -0.618003 -0.989089 -0.639696
H -7.218297 1.010213 0.809891
H -6.983793 1.361580 -0.915103
H 0.421762 0.413222 1.915673
H 0.652990 1.046187 0.269853
H -8.330904 -0.706051 -1.514595
H -8.571238 -1.046347 0.211849
H 1.982032 -0.953399 -0.381708
H 1.662661 -1.725454 1.194878
H -9.535853 1.504490 -1.248310
H -9.772035 1.170416 0.478525
H 2.862073 0.356754 2.148920
H 4.382834 -0.926927 -0.086527
H 4.494849 -1.552189 1.582072
H -11.161123 -0.884228 -0.101643
H -11.859258 0.591215 -0.830025
H -10.924736 -0.549774 -1.839719
H 5.266470 1.323318 0.680910
H 5.405267 0.699738 2.355727
H 6.593347 -1.051350 -3.103705


