%chk=000089442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089442

0 1
 S    3.324100      -2.068900     -2.2200000E-02
 S  -0.8087000       1.681400     -0.4438000    
 S   -3.630900       2.695300     -0.6816000    
 O   -1.732200      -2.020900     -0.4193000    
 O   -4.047800     -0.2466000       1.729900    
 O   -5.976000      -1.037900      0.8334000    
 N    4.396700      0.3455000     -1.1400000E-02
 N   -2.811500      6.2899999E-02 -0.5580000    
 C    5.524100     -0.5394000      0.2859000    
 C    5.142200      -1.942100     -0.2044000    
 C    3.175600     -0.3107000     -8.8100001E-02
 C    4.592100       1.777500      8.6700000E-02
 C    1.955400      0.2358000     -0.1960000    
 C    3.900900       2.343000       1.315800    
 C   0.7454000     -0.5434000     -0.2688000    
 C  -0.4719000      1.1000000E-03 -0.3764000    
 C   -1.717900     -0.7974000     -0.4516000    
 C   -4.176100     -0.4490000     -0.6525000    
 C   -2.547700       1.427600     -0.5702000    
 C   -4.835600     -0.6136000      0.6925000    
 H    5.703700     -0.5508000       1.368100    
 H    6.443600     -0.2040000     -0.2065000    
 H    5.384200      -2.053600      -1.266600    
 H    5.655000      -2.726600      0.3585000    
 H    5.661500       2.014600      0.1352000    
 H    4.206500       2.268800     -0.8142000    
 H    1.875900       1.311200     -0.2898000    
 H    2.811700       2.330500       1.263600    
 H    4.198900       1.798000       2.218200    
 H    4.194600       3.389900       1.449500    
 H   0.7871000      -1.626100     -0.2352000    
 H   -4.136700      -1.441600      -1.114600    
 H   -4.796200      0.2029000      -1.272500    
 H   -4.499300     -0.3624000       2.593000    


%chk=000089442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089442

0 1
S 3.455722 -2.187072 0.084474
S -0.952554 1.795403 -0.270390
S -3.945955 2.610890 -0.478909
O -1.838660 -2.052485 -0.630891
O -4.310815 -0.364358 1.724042
O -6.324717 -0.645101 0.594724
N 4.419754 0.295650 -0.010350
N -2.913473 0.059045 -0.568483
C 5.595306 -0.528277 0.357660
C 5.320825 -1.939768 -0.184458
C 3.206763 -0.370760 -0.041641
C 4.522032 1.770577 -0.009990
C 1.945946 0.213133 -0.146665
C 4.327087 2.405361 1.386459
C 0.733251 -0.521633 -0.294323
C -0.541819 0.011557 -0.363356
C -1.748638 -0.794885 -0.525415
C -4.238563 -0.544286 -0.697440
C -2.740894 1.431343 -0.455723
C -5.085155 -0.506030 0.573973
H 5.729723 -0.553967 1.459387
H 6.505068 -0.096396 -0.096604
H 5.527422 -2.020781 -1.262229
H 5.853110 -2.722116 0.374926
H 5.517884 2.033731 -0.411562
H 3.776749 2.167649 -0.722362
H 1.879860 1.307077 -0.101649
H 3.341226 2.143836 1.807566
H 5.105274 2.069023 2.094484
H 4.388877 3.505842 1.312251
H 0.775402 -1.618781 -0.370398
H -4.072839 -1.604884 -0.969893
H -4.816492 -0.045502 -1.492091
H -4.906005 -0.352038 2.521473


