%chk=000094929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094929

0 1
 S    3.901600      0.2579000      6.9999998E-04
 O   -1.295500       2.602200     -1.0000000E-03
 O   -3.217600      -1.677300     -9.9999997E-05
 N    1.337600       1.180200     -9.9999997E-05
 N  -0.8963000      -1.517900     -9.9999997E-05
 N   -2.280500      0.4696000      3.0000001E-04
 N    1.518300      -1.041900     -5.0000002E-04
 C   6.1999999E-02  0.6931000     -6.0000003E-04
 C   0.2013000     -0.6680000     -6.9999998E-04
 C   -1.189400       1.378800       0.000000    
 C   -2.203600     -0.9701000     -3.9999999E-04
 C    2.178800      9.7599998E-02   0.000000    
 C    1.712700       2.577300      3.9999999E-04
 C  -0.6968000      -2.961800      3.0000001E-04
 C   -3.618000       1.053000      1.4000000E-03
 C    4.485500      -1.472600      3.9999999E-04
 H    2.777700       2.711900     -0.1874000    
 H    1.158000       3.084300     -0.7938000    
 H    1.452800       2.996900      0.9757000    
 H  -0.1333000      -3.243200     -0.8946000    
 H   -1.648800      -3.498700      7.9999998E-04
 H  -0.1326000      -3.242500      0.8951000    
 H   -3.605000       2.145100      5.7999999E-03
 H   -4.154400      0.6949000      0.8859000    
 H   -4.152400      0.7018000     -0.8871000    
 H    4.128100      -1.991100     -0.8933000    
 H    4.127600      -1.991600      0.8934000    
 H    5.578400      -1.481100      6.0000003E-04


%chk=000094929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094929

0 1
S 4.010976 0.304330 0.039941
O -1.404840 2.649989 -0.032781
O -3.226482 -1.702924 -0.032473
N 1.384357 1.231836 0.006202
N -0.886598 -1.518670 -0.006695
N -2.291236 0.447238 -0.032023
N 1.544636 -1.056620 0.018601
C 0.068757 0.723758 -0.006031
C 0.211317 -0.672600 0.001879
C -1.202878 1.392911 -0.024321
C -2.194214 -0.972933 -0.023955
C 2.221423 0.126612 0.020759
C 1.778980 2.650672 0.005668
C -0.706747 -2.982656 0.002034
C -3.670601 0.986839 -0.050429
C 4.469954 -1.522889 0.059988
H 2.384930 2.879354 -0.888584
H 0.860400 3.257141 -0.006094
H 2.366298 2.884806 0.910862
H -0.133891 -3.299362 -0.885713
H -1.706825 -3.439714 -0.008661
H -0.156792 -3.291604 0.906851
H -3.591896 2.083681 -0.049365
H -4.225422 0.636488 0.835140
H -4.201740 0.637238 -0.950783
H 4.073465 -2.007575 -0.842114
H 4.050796 -1.993712 0.959197
H 5.570073 -1.544833 0.074000


