%chk=000031577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031577

0 1
 S    2.802900     -0.9858000      1.9999999E-04
 N   -2.376800      -1.228800       0.000000    
 C   -1.217300     -0.4257000       0.000000    
 C   4.4199999E-02  -1.021100     -9.9999997E-05
 C    1.190500     -0.2262000     -1.9999999E-04
 C   -1.332400      0.9644000      9.9999997E-05
 C    1.075200       1.164000     -9.9999997E-05
 C  -0.1863000       1.759300      9.9999997E-05
 H   0.1274000      -2.106200     -9.9999997E-05
 H   -2.309700       1.440300      1.9999999E-04
 H    1.954100       1.803700       0.000000    
 H  -0.2761000       2.841700      1.9999999E-04
 H   -3.291400     -0.7972000      6.0000003E-04
 H   -2.294700      -2.236800      6.0000003E-04
 H    3.527200      0.1431000      1.5000000E-03


%chk=000031577-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031577

0 1
S 2.829580 -1.057391 0.000317
N -2.385172 -1.241532 0.000078
C -1.246332 -0.434306 0.000141
C 0.051273 -1.021531 0.000213
C 1.199584 -0.202357 0.000226
C -1.363408 0.987320 0.000102
C 1.089322 1.208853 0.000199
C -0.202408 1.783932 0.000137
H 0.151596 -2.113634 0.000266
H -2.355500 1.454039 0.000051
H 1.979191 1.847316 0.000224
H -0.299911 2.875768 0.000125
H -3.313058 -0.829186 0.000197
H -2.308464 -2.254062 0.000259
H 3.610508 0.085473 0.000462


