%chk=000040267.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040267

0 1
 S    1.435200      0.5747000      -1.033200    
 O   -1.238500     -0.9092000     -0.9023000    
 O  -0.7358000      -1.576700       1.267500    
 N  -0.9242000      -3.132700     -0.4428000    
 N    4.927200     -3.8800001E-02  5.8899999E-02
 C   -1.280400      0.3818000     -0.4651000    
 C  -0.1430000       1.189000     -0.4611000    
 C   -2.498100      0.8902000     -1.3100000E-02
 C  -0.2231000       2.504700     -4.9999999E-03
 C   -2.578300       2.206000      0.4431000    
 C   -1.440800       3.013200      0.4472000    
 C  -0.9446000      -1.861000      9.1799997E-02
 C    2.459300      0.7637000      0.4522000    
 C  -0.6503000      -4.320400      0.3321000    
 C    3.835400      0.3155000      0.2296000    
 H   -3.389200      0.2680000     -1.3500000E-02
 H   0.6449000       3.159100     -2.0000001E-03
 H   -3.526500       2.602200      0.7944000    
 H   -1.504100       4.038500      0.8000000    
 H    2.471900       1.814200      0.7583000    
 H    2.008200      0.1858000       1.265500    
 H   -1.111300      -3.239400      -1.435100    
 H   0.2342000      -4.805200     -8.8299997E-02
 H   -1.507600      -4.991800      0.2416000    
 H  -0.4768000      -4.079600       1.383500    


%chk=000040267-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040267

0 1
S 1.283466 0.491602 -1.072168
O -1.521031 -0.892909 -0.570111
O -0.155840 -1.517270 1.277253
N -0.799443 -3.033920 -0.402601
N 4.531158 -0.871238 0.277068
C -1.455822 0.490025 -0.258811
C -0.273545 1.253644 -0.443162
C -2.656568 1.105966 0.152318
C -0.319581 2.647283 -0.199604
C -2.686281 2.495767 0.394443
C -1.515084 3.269480 0.223372
C -0.738507 -1.811959 0.205893
C 2.197701 0.343874 0.619942
C -0.130985 -4.217945 0.146401
C 3.482343 -0.321098 0.429802
H -3.548122 0.484098 0.276848
H 0.585342 3.241315 -0.366357
H -3.620019 2.970555 0.713776
H -1.533449 4.349021 0.404514
H 2.338998 1.360911 1.019636
H 1.532689 -0.247513 1.274063
H -1.292004 -3.086448 -1.294847
H 0.661263 -4.579482 -0.534087
H -0.854581 -5.033712 0.324977
H 0.331602 -3.938246 1.105640


