%chk=000038395.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038395

0 1
 S    4.320700      -3.925200     -0.1316000    
 S    2.697400       4.574500     -6.3199997E-02
 O    4.280800      -2.294200     -7.5700000E-02
 O    3.246900       3.042200     -0.1863000    
 O    2.976300      -4.445100      1.3700000E-02
 O    5.422600      -4.408300      0.6757000    
 O    1.254200       4.559900      6.3000001E-02
 O    3.375200       5.409000      -1.034300    
 O   -5.307600     -0.9955000      -2.826400    
 O   -3.690600      0.5090000      -2.289300    
 N    3.040100      0.2349000     -7.6800004E-02
 N   -2.437200     -0.8178000      0.4304000    
 N   -3.082600      0.2556000      0.4044000    
 C    3.965800     -0.1541000      0.9684000    
 C    3.547400      0.9116000      -1.253700    
 C    1.661000     -2.9600000E-02  5.6100000E-02
 C    3.939200      -1.662100       1.151400    
 C    2.937800       2.299200      -1.358700    
 C    1.078600     -7.8699999E-02   1.322800    
 C   0.8793000     -0.2421000      -1.079500    
 C  -0.2853000     -0.3403000       1.453600    
 C   -1.061900     -0.5516000      0.3174000    
 C  -0.4846000     -0.5035000     -0.9486000    
 C  -0.8866000     -0.3897000       2.820200    
 C    4.784800      -4.061500      -1.839100    
 C    3.388700       4.913300       1.535800    
 C   -4.453400     -9.3999999E-03  0.5167000    
 C   -5.237300     -0.2233000     -0.6172000    
 C   -5.033200     -5.7700001E-02   1.784500    
 C   -6.600700     -0.4858000     -0.4832000    
 C   -6.396600     -0.3204000       1.918500    
 C   -7.180300     -0.5343000      0.7847000    
 C   -4.658600     -0.1786000      -1.953600    
 H    3.757300      0.3649000       1.910000    
 H    4.988100      0.1351000      0.6949000    
 H    4.636600       1.023400      -1.186500    
 H    3.368500      0.3299000      -2.164400    
 H    2.965500      -2.030000       1.488400    
 H    4.678800      -1.943500       1.909600    
 H    3.367600       2.814400      -2.225300    
 H    1.852500       2.273900      -1.494900    
 H    1.659300      0.1039000       2.221800    
 H    1.294500     -0.2328000      -2.082200    
 H   -1.083100     -0.6756000      -1.839100    
 H   -1.464300      -1.310100       2.956800    
 H   -1.540900      0.4736000       2.978800    
 H  -0.1207000     -0.3756000       3.603300    
 H    5.748200      -3.569400      -1.984300    
 H    4.866200      -5.122200      -2.085500    
 H    4.013100      -3.593600      -2.453500    
 H    4.474400       4.813600       1.480100    
 H    3.121100       5.935200       1.812100    
 H    2.970700       4.209400       2.258000    
 H   -4.431900      0.1085000       2.674700    
 H   -7.241200     -0.6437000      -1.346900    
 H   -6.848200     -0.3573000       2.905500    
 H   -8.242400     -0.7356000      0.8893000    
 H   -4.911500     -0.9599000      -3.723200    


%chk=000038395-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038395

0 1
S 5.494731 -3.008612 -0.932137
S 4.883571 4.530354 0.777947
O 4.693609 -1.387606 -0.376058
O 4.202860 2.788684 0.489612
O 4.378199 -4.181514 -0.872125
O 6.911989 -3.193949 -0.177644
O 3.965985 5.347233 1.827866
O 5.221000 5.166648 -0.674859
O -5.199790 -2.476735 2.164144
O -4.448889 -3.102742 0.058335
N 2.342062 0.430278 0.091296
N -3.274525 -0.376493 0.318664
N -4.041235 0.301417 -0.502811
C 3.231993 -0.158287 1.100536
C 2.990242 1.257983 -0.934911
C 0.953361 0.242331 0.125709
C 3.764097 -1.569098 0.760383
C 3.155545 2.747110 -0.554509
C 0.355696 -0.712164 1.010316
C 0.080128 1.000751 -0.726037
C -1.034873 -0.914481 1.069212
C -1.884819 -0.144045 0.209249
C -1.300484 0.802236 -0.682754
C -1.622981 -1.959340 1.997031
C 5.780271 -2.434834 -2.718109
C 6.460581 3.911644 1.630919
C -5.426524 -0.005782 -0.365295
C -5.947343 -1.159574 0.303402
C -6.323224 0.937474 -0.932217
C -7.347262 -1.300074 0.439548
C -7.716517 0.774491 -0.805573
C -8.232230 -0.342491 -0.107687
C -5.080774 -2.290451 0.773568
H 2.710629 -0.219191 2.073179
H 4.090191 0.522041 1.238748
H 3.988550 0.833471 -1.140784
H 2.415439 1.205964 -1.876623
H 2.948781 -2.258751 0.475546
H 4.308116 -1.971196 1.638263
H 3.491871 3.322181 -1.441081
H 2.211645 3.168031 -0.162526
H 0.984481 -1.333892 1.654186
H 0.480444 1.761717 -1.401686
H -1.970051 1.384127 -1.323809
H -2.096308 -2.767275 1.409103
H -2.415759 -1.521750 2.628468
H -0.846784 -2.401019 2.645350
H 6.383390 -1.520268 -2.648248
H 6.314603 -3.254965 -3.217253
H 4.784077 -2.255816 -3.141604
H 6.984237 3.294013 0.890756
H 7.024210 4.811515 1.912937
H 6.124756 3.334762 2.502357
H -5.892687 1.801896 -1.447481
H -7.746183 -2.173415 0.966396
H -8.396066 1.515016 -1.240577
H -9.313495 -0.475618 0.003271
H -4.674036 -3.285038 2.415702


