%chk=000040379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040379

0 1
 S    1.243200      -1.452700     -0.1128000    
 N    2.208500      0.9450000     -7.5199999E-02
 C   -1.248900     -0.4253000      0.5433000    
 C   -2.163100      0.3355000     -0.4192000    
 C   0.2062000     -0.1575000      0.2522000    
 C   -3.629200      4.0700000E-02 -0.1433000    
 C   0.8643000       1.031000      0.2302000    
 C    2.518900     -0.3166000     -0.2752000    
 H   -1.468800      -1.498600      0.4851000    
 H   -1.459300     -0.1167000       1.575300    
 H   -1.996500       1.415800     -0.3321000    
 H   -1.930000      5.9999999E-02  -1.455100    
 H   -3.844300      -1.026000     -0.2627000    
 H   -3.903500      0.3355000      0.8746000    
 H   -4.265000      0.5951000     -0.8407000    
 H   0.4331000       2.002900      0.4286000    
 H    3.522700     -0.6286000     -0.5292000    


%chk=000040379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040379

0 1
S 1.010597 -1.082164 -0.922539
N 2.419463 0.775737 0.371272
C -1.287132 -0.175477 0.605469
C -2.216252 0.114911 -0.606731
C 0.180377 -0.032738 0.305144
C -3.707729 -0.024692 -0.237592
C 1.101277 0.852746 0.848174
C 2.549598 -0.166229 -0.542136
H -1.505894 -1.194509 0.983889
H -1.535755 0.523838 1.427791
H -2.009755 1.134936 -0.983219
H -1.966551 -0.581193 -1.431364
H -3.938400 -1.048816 0.111634
H -3.986850 0.677424 0.570471
H -4.354966 0.188685 -1.107214
H 0.862570 1.594116 1.612209
H 3.473702 -0.417076 -1.061459


