%chk=000154614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154614

0 1
 S    3.564200      -1.467000      0.4307000    
 O  -0.7677000      -2.134200     -0.4013000    
 O    3.946200       2.281000     -0.4212000    
 O    5.409600      0.7363000      0.1181000    
 N   -1.070000      0.1420000      0.1043000    
 N    4.216800       1.088300     -0.1046000    
 C    1.146000     -0.8771000      9.6000005E-03
 C   -2.456200      0.2976000      7.1900003E-02
 C  -0.3271000      -1.023400     -0.1258000    
 C    1.831900      0.3229000     -0.1979000    
 C    1.918500      -1.933700      0.3515000    
 C    3.183500      0.1461000      8.9999998E-04
 C   -3.273800     -0.7946000     -0.2179000    
 C   -3.024300       1.545400      0.3290000    
 C   -4.659600     -0.6391000     -0.2505000    
 C   -4.410100       1.700800      0.2965000    
 C   -5.227900      0.6086000      6.8000001E-03
 H    1.396300       1.270900     -0.4884000    
 H  -0.5586000      0.9865000      0.3473000    
 H    1.633400      -2.954600      0.5650000    
 H   -2.911300      -1.790900     -0.4277000    
 H   -2.399400       2.405500      0.5560000    
 H   -5.297700      -1.488800     -0.4761000    
 H   -4.852600       2.672300      0.4966000    
 H   -6.306900      0.7296000     -1.8500000E-02


%chk=000154614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154614

0 1
S 3.731720 -1.582894 -0.013571
O -0.815258 -2.248468 -0.064055
O 3.891293 2.416718 0.140736
O 5.528356 0.805133 0.090185
N -1.086370 0.087636 0.017671
N 4.290241 1.185312 0.096439
C 1.162756 -0.870832 -0.002909
C -2.506708 0.222557 0.015520
C -0.327122 -1.077172 -0.019314
C 1.901789 0.364064 0.049398
C 2.002453 -1.987569 -0.040737
C 3.274082 0.159787 0.050334
C -3.394049 -0.886303 -0.020604
C -3.027523 1.544849 0.053222
C -4.786187 -0.651714 -0.017889
C -4.419597 1.760070 0.055353
C -5.309500 0.660815 0.019821
H 1.493709 1.376595 0.085976
H -0.575963 0.972530 0.050751
H 1.675217 -3.025972 -0.082756
H -2.989855 -1.899210 -0.050519
H -2.343581 2.403790 0.080856
H -5.467119 -1.509582 -0.045640
H -4.807727 2.783860 0.084602
H -6.391860 0.826400 0.021432


