%chk=000002382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002382

0 1
 S   0.5346000       1.078100      -1.126400    
 O   0.5647000       2.514000      -1.337500    
 O   7.8999996E-03  0.2182000      -2.170500    
 O   -1.296600       3.596600       2.343000    
 O   -2.313400       2.513700      0.6202000    
 N  -0.2600000      0.7202000      0.3801000    
 C  -0.2467000     -0.6477000      0.8027000    
 C   -1.319700      -1.499600      0.5317000    
 C    2.204200      0.5644000     -0.8254000    
 C  -0.1567000       1.757800       1.451100    
 C   0.8662000      -1.122700       1.496800    
 C   -2.487100      -1.034000     -0.1849000    
 C   -1.274400      -2.828600      0.9583000    
 C    2.568700     -0.7364000      -1.115500    
 C    3.103500       1.476800     -0.3078000    
 C   0.9088000      -2.450600       1.921400    
 C  -0.1614000      -3.303600       1.652200    
 C    4.807000     -0.2357000     -0.3567000    
 C    3.882700      -1.140400     -0.8788000    
 C    4.417500       1.072900     -7.1300000E-02
 C   -1.373900       2.629000       1.393000    
 C   -3.565000     -0.4916000      0.5149000    
 C   -2.534800      -1.127300      -1.575900    
 C    6.212200     -0.6670000     -0.1049000    
 C   -4.690400     -4.2599998E-02 -0.1761000    
 C   -3.660100     -0.6782000      -2.266900    
 C   -4.737900     -0.1359000      -1.566900    
 H   0.7406000       2.368500       1.322000    
 H  -0.1209000       1.295400       2.443700    
 H    1.698200     -0.4717000       1.750700    
 H   -2.099200      -3.508800      0.7583000    
 H    1.865100      -1.455600      -1.523300    
 H    2.819700       2.498500     -7.6499999E-02
 H    1.772200      -2.818400       2.468100    
 H  -0.1288000      -4.337000       1.984400    
 H    4.174500      -2.162200      -1.106700    
 H    5.128800       1.787300      0.3345000    
 H   -3.543500     -0.4102000       1.599100    
 H   -1.724700      -1.585900      -2.136400    
 H    6.649800     -0.1172000      0.7354000    
 H    6.259100      -1.731200      0.1499000    
 H    6.824200     -0.4921000     -0.9953000    
 H   -5.529500      0.3801000      0.3689000    
 H   -3.701200     -0.7597000      -3.349100    
 H   -5.614900      0.2120000      -2.104800    
 H   -2.081700       4.184600       2.330500    


%chk=000002382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002382

0 1
S 0.807052 0.934259 -1.476425
O 0.827781 2.527292 -1.829746
O 0.297677 -0.189680 -2.534199
O -0.981319 3.521200 2.519752
O -2.297363 1.646891 2.103753
N -0.415887 0.792663 0.116452
C -0.425852 -0.518762 0.706436
C -1.580934 -1.352132 0.525266
C 2.569934 0.450064 -0.991110
C -0.081424 1.937889 0.985028
C 0.654656 -0.962464 1.524087
C -2.798906 -0.956787 -0.243636
C -1.589587 -2.608556 1.194490
C 2.961064 -0.890550 -1.144827
C 3.429744 1.458653 -0.524552
C 0.622559 -2.215652 2.160276
C -0.512242 -3.044289 1.991308
C 5.196030 -0.252683 -0.312432
C 4.286322 -1.230997 -0.797466
C 4.750059 1.089994 -0.182890
C -1.259308 2.295653 1.889324
C -4.067589 -1.071102 0.389706
C -2.745956 -0.518419 -1.592863
C 6.627643 -0.628118 0.022040
C -5.253466 -0.747644 -0.302893
C -3.935151 -0.200919 -2.284932
C -5.192003 -0.312035 -1.646905
H 0.126663 2.811786 0.338786
H 0.799325 1.792650 1.650920
H 1.527085 -0.312140 1.659079
H -2.462774 -3.256626 1.062970
H 2.258302 -1.631570 -1.538090
H 3.089419 2.497768 -0.464821
H 1.465571 -2.543221 2.778091
H -0.556177 -4.025359 2.477021
H 4.618447 -2.269548 -0.909028
H 5.444273 1.857398 0.178371
H -4.117739 -1.373591 1.441979
H -1.781320 -0.445328 -2.104034
H 7.066106 0.059491 0.765429
H 6.696363 -1.655503 0.419986
H 7.264297 -0.584555 -0.882752
H -6.220245 -0.825147 0.207483
H -3.876142 0.131077 -3.327630
H -6.111268 -0.060811 -2.188504
H -1.736020 3.755658 3.125000


