%chk=000045099.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045099

0 1
 S    1.019500       1.415000     -5.3199999E-02
 N   -1.871800       1.183700     -0.7001000    
 C   -1.345500     -5.7000001E-03 -4.4999998E-03
 C   0.1959000     -5.1100001E-02 -1.6000000E-03
 C   -1.870600      6.0400002E-02   1.441700    
 C   -1.933400      -1.236500     -0.7225000    
 C   0.9581000      -1.151900      3.7599999E-02
 C    2.336000     -0.7897000      2.5400000E-02
 C    2.511800      0.5758000     -2.2800000E-02
 H   -1.507600      0.9514000       1.968200    
 H   -1.540200     -0.8119000       2.018400    
 H   -2.966600      7.7100001E-02   1.473000    
 H   -3.027500      -1.180200     -0.7814000    
 H   -1.549900      -1.326300      -1.746200    
 H   -1.696900      -2.166600     -0.1932000    
 H   -1.578700       2.027600     -0.2084000    
 H   -2.891100       1.182400     -0.6710000    
 H   0.6057000      -2.173600      8.0399998E-02
 H    3.156800      -1.494700      5.2299999E-02
 H    3.445200       1.120600     -4.1200001E-02


%chk=000045099-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045099

0 1
S 1.000029 0.942830 -1.232122
N -1.832470 1.368551 -0.363275
C -1.405208 0.001233 0.035091
C 0.117561 -0.035683 0.016688
C -1.933354 -0.404971 1.445302
C -1.968452 -0.982369 -1.030933
C 1.011127 -0.776777 0.776706
C 2.395176 -0.603591 0.398195
C 2.566460 0.275847 -0.657437
H -1.544356 0.279902 2.220390
H -1.644933 -1.437169 1.717327
H -3.037724 -0.351029 1.451756
H -3.075950 -0.960521 -1.027266
H -1.612259 -0.695767 -2.034494
H -1.641162 -2.014232 -0.818738
H -1.524691 2.104547 0.282400
H -2.831695 1.436589 -0.584161
H 0.696488 -1.432659 1.592313
H 3.225060 -1.110444 0.897577
H 3.489553 0.601512 -1.134420