%chk=000086443.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086443

0 1
 S   -2.159200      0.6191000       1.813600    
 O  -0.2739000      -3.991900      0.3539000    
 O   -1.720000      -1.516200      -1.013600    
 O   -3.930100      -1.620400     -0.3786000    
 O   -1.966200       1.705200       2.762900    
 O   -3.128600     -0.4274000       2.100100    
 O   0.5343000       1.803800      0.8798000    
 N  -0.6427000     -0.1068000       1.484200    
 N    1.570900     -0.2862000      0.7796000    
 N    3.124700       1.317100      8.3400004E-02
 N    3.703800      -1.020800      0.1607000    
 C   -1.617500      -2.950700     -0.9332000    
 C  -0.2109000      -3.527800      -1.014000    
 C   -1.645100      -3.547900      0.4673000    
 C   -2.907400      0.4867000     -0.8278000    
 C   -2.935300     -0.9653000     -0.7108000    
 C   -2.568900       1.300300      0.2536000    
 C   -3.229500       1.060100      -2.057900    
 C   -2.552400       2.687200      0.1046000    
 C   -3.213100       2.446900      -2.206700    
 C   -2.874700       3.260400      -1.125600    
 C   0.5251000      0.5873000       1.023300    
 C    2.871400      2.0199999E-02  0.3163000    
 C    4.373500       1.573500     -0.3586000    
 C    4.934800     -0.6926000     -0.2836000    
 C    5.329800      0.5997000     -0.5624000    
 C    4.708000       3.000900     -0.6352000    
 C    5.899200      -1.814600     -0.4753000    
 H   -2.308300      -3.434900      -1.634000    
 H   0.5935000      -2.799700      -1.152300    
 H  -8.2900003E-02  -4.357700      -1.715100    
 H   -2.328200      -4.393600      0.5943000    
 H   -1.776600      -2.856600       1.301200    
 H   -3.494800      0.4370000      -2.908300    
 H   -2.290700       3.348000      0.9256000    
 H   -3.463600       2.893300      -3.164600    
 H   -2.861200       4.340200      -1.242100    
 H  -0.5945000      -1.130600       1.529700    
 H    1.403300      -1.274500      0.9473000    
 H    6.325400      0.8345000     -0.9189000    
 H    4.982300       3.130900      -1.686900    
 H    3.853200       3.652700     -0.4263000    
 H    5.541800       3.325800     -4.8000002E-03
 H    5.442900      -2.774800     -0.2130000    
 H    6.219000      -1.867400      -1.520900    
 H    6.778500      -1.673800      0.1613000    


%chk=000086443-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086443

0 1
S -2.001712 0.149804 1.668965
O -0.388964 -3.280957 0.396021
O -2.005497 -1.334957 -1.024420
O -4.171499 -1.408691 -1.904979
O -1.854851 1.160684 2.920613
O -2.978525 -1.145120 1.795858
O 0.568828 1.504720 0.778741
N -0.376745 -0.577755 1.309390
N 1.899073 -0.472739 0.963211
N 3.211616 0.930259 -0.461532
N 4.172412 -0.901414 0.847963
C -1.782540 -2.788070 -1.199941
C -0.256424 -2.990952 -1.096598
C -1.888406 -3.516603 0.165073
C -3.265648 0.658155 -0.941116
C -3.258156 -0.790481 -1.319485
C -2.616030 1.218689 0.182468
C -3.923492 1.554801 -1.823441
C -2.551227 2.595971 0.425483
C -3.881521 2.946999 -1.600612
C -3.181287 3.470330 -0.490197
C 0.695153 0.273405 0.985660
C 3.140236 -0.102745 0.420016
C 4.462242 1.230313 -0.937678
C 5.413291 -0.605747 0.354933
C 5.596826 0.479411 -0.540747
C 4.560051 2.386810 -1.905428
C 6.562274 -1.475104 0.810462
H -2.352209 -3.164019 -2.062583
H 0.370408 -2.106216 -1.287149
H 0.120925 -3.882796 -1.625507
H -2.087993 -4.598224 0.076229
H -2.495467 -3.030778 0.943910
H -4.450366 1.134965 -2.686527
H -2.038310 2.963128 1.319395
H -4.390052 3.622232 -2.296220
H -3.133963 4.550899 -0.323073
H -0.378428 -1.612974 1.121477
H 1.939428 -1.336852 1.512539
H 6.591228 0.724530 -0.924477
H 4.981450 2.062578 -2.875018
H 3.559194 2.812554 -2.071827
H 5.222354 3.178258 -1.508355
H 6.192773 -2.256716 1.491472
H 7.063024 -1.956154 -0.049942
H 7.325622 -0.874829 1.339172


