%chk=000003047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003047

0 1
 S    2.068800       2.641400      0.1741000    
 S   -2.052900      -2.608200      1.1000000E-03
 S    6.349900     -0.6793000      0.7683000    
 S   -7.135700       1.258800       1.694400    
 O    1.436900       2.610900      -1.331500    
 O   -1.411700      -2.483500       1.498100    
 O   0.9670000       2.859200       1.096900    
 O    3.222000       3.524900      0.1663000    
 O   -3.181700      -3.519400      9.3099996E-02
 O  -0.9720000      -2.850800     -0.9386000    
 N   -5.995300      0.5767000     -0.7411000    
 N    6.727100      -1.174800      -2.016000    
 C    1.837700     -7.0200004E-02  0.6070000    
 C   -1.840200      7.5300001E-02 -0.5888000    
 C    2.678300       1.020200      0.4432000    
 C   -2.682600      -1.012100     -0.3569000    
 C   0.3724000      7.9499997E-02  0.5623000    
 C  -0.3891000     -5.3800002E-02 -0.5474000    
 C    2.346700      -1.343300      0.8197000    
 C   -2.381500       1.329500     -0.8706000    
 C    4.059800      0.8343000      0.4928000    
 C   -4.066700     -0.8451000     -0.4072000    
 C    4.584800     -0.4404000      0.7058000    
 C   -4.607900      0.4092000     -0.6893000    
 C    3.728100      -1.529100      0.8693000    
 C   -3.765200       1.496500     -0.9210000    
 C    6.572500     -0.9733000     -0.8840000    
 C   -6.469400      0.8669000      0.3002000    
 H  -9.6199997E-02  0.2898000       1.521200    
 H   8.3499998E-02 -0.2666000      -1.503800    
 H    1.692000      -2.201200      0.9496000    
 H   -1.742900       2.190000      -1.053300    
 H    4.743300       1.669500      0.3648000    
 H   -4.743500      -1.676700     -0.2306000    
 H    4.118300      -2.530100       1.036600    
 H   -4.175800       2.478100      -1.143700    
 H   0.5229000       2.254700      -1.408300    
 H   -2.045700      -2.234000       2.210800    


%chk=000003047-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003047

0 1
S 2.387336 3.161436 0.181080
S -2.354986 -2.961678 -0.129424
S 6.609119 -0.366445 0.150114
S -8.902327 1.085607 -0.204791
O 1.859825 3.303434 -1.598548
O -1.811228 -3.087731 1.645874
O 1.075197 3.389708 1.100313
O 3.704840 4.065904 0.429503
O -3.664147 -3.880607 -0.363926
O -1.046914 -3.183245 -1.057097
N -6.113097 0.603586 -0.086208
N 6.920235 -3.286608 0.165449
C 1.934216 0.312276 -0.036360
C -1.913232 -0.110376 0.075276
C 2.902091 1.346053 0.061298
C -2.881035 -1.146195 -0.014292
C 0.491394 0.569679 -0.117748
C -0.471092 -0.364706 0.154073
C 2.479035 -1.008313 -0.087654
C -2.460960 1.210794 0.120274
C 4.289083 1.155578 0.118767
C -4.264716 -0.961919 -0.068787
C 4.763745 -0.171273 0.077780
C -4.762925 0.369117 -0.034856
C 3.861685 -1.252923 -0.029483
C -3.839777 1.451617 0.064714
C 6.756520 -2.099322 0.159034
C -7.303721 0.808295 -0.137027
H 0.194134 1.576277 -0.428650
H -0.172439 -1.370542 0.466014
H 1.799468 -1.856425 -0.216758
H -1.780162 2.058730 0.242264
H 4.954619 2.022107 0.204380
H -4.942241 -1.818039 -0.145991
H 4.229694 -2.282831 -0.080122
H -4.225614 2.474196 0.111204
H 1.649854 4.265965 -1.780135
H -1.595476 -4.047683 1.833943


