%chk=000144305.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000144305

0 1
 S   0.2513000       3.502000       1.210300    
 O    2.644600      -1.515400      0.4688000    
 O    3.415900      0.3652000     -0.6194000    
 N    1.005500       1.520100     -0.5650000    
 C   0.1571000     -0.7633000     -0.8124000    
 C    1.068900      0.1640000     -6.3000000E-03
 C   -1.292400     -0.6497000     -0.4075000    
 C   -1.783900      -1.470000      0.5960000    
 C   -2.106200      0.2731000      -1.045600    
 C    2.512800     -0.2826000     -0.1064000    
 C   -3.123400      -1.365100      0.9705000    
 C   -3.445700      0.3781000     -0.6709000    
 C   -3.954300     -0.4410000      0.3372000    
 C    3.965500      -2.066400      0.4523000    
 C   0.6844000       2.350900      0.1985000    
 H   0.4601000      -1.812700     -0.7009000    
 H   0.2547000     -0.5590000      -1.887800    
 H   0.8066000      0.1392000       1.062900    
 H   -1.144000      -2.190700       1.097000    
 H   -1.721200      0.9147000      -1.832900    
 H   -3.519200      -2.002200       1.756000    
 H   -4.092800       1.097500      -1.164100    
 H   -4.997200     -0.3590000      0.6290000    
 H    4.307400      -2.198800     -0.5786000    
 H    3.931700      -3.044600      0.9393000    
 H    4.652000      -1.420800       1.008200    


%chk=000144305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000144305

0 1
S 0.350323 4.182903 0.085492
O 2.824402 -1.593554 0.541376
O 3.362766 0.385210 -0.577495
N 0.823723 1.390241 0.231614
C 0.148345 -0.810656 -0.703479
C 1.054977 -0.006586 0.304552
C -1.329540 -0.682902 -0.374956
C -1.936583 -1.574698 0.546962
C -2.120263 0.340705 -0.956454
C 2.541182 -0.328933 0.026879
C -3.302566 -1.445747 0.882945
C -3.486384 0.473535 -0.621127
C -4.081504 -0.419068 0.299945
C 4.208101 -2.085797 0.313520
C 0.628373 2.577000 0.169851
H 0.472501 -1.864717 -0.643055
H 0.364509 -0.439108 -1.721582
H 0.823693 -0.371265 1.324654
H -1.339166 -2.378868 0.995767
H -1.665532 1.036130 -1.672280
H -3.759429 -2.144712 1.592533
H -4.083685 1.270857 -1.076860
H -5.141282 -0.317569 0.558879
H 4.420937 -2.134219 -0.767341
H 4.228177 -3.084637 0.769958
H 4.932125 -1.410049 0.797901


