%chk=000025377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025377

0 1
 S   0.9926000      0.9587000     -0.1483000    
 O   -2.466500      -2.142500      0.2815000    
 O    4.562500     -0.5345000      2.4100000E-02
 O    3.848900       1.535100     -0.1889000    
 N   -1.436900     -2.0700000E-02 -6.3400000E-02
 N   -3.697700     -0.2188000     -0.2577000    
 N   0.4186000      -1.549300      0.1026000    
 N    3.616000      0.2987000     -6.4999998E-02
 C   -1.968500       1.338600     -0.2038000    
 C   -3.403400       1.121700     -0.6745000    
 C   -1.918200       2.098300       1.120200    
 C   -2.523300     -0.9469000      2.3200000E-02
 C  -0.1114000     -0.3507000     -2.1700000E-02
 C    2.292200     -0.1538000     -2.7100001E-02
 C    1.795000      -1.433900      9.8899998E-02
 H   -1.436000       1.900100     -0.9800000    
 H   -4.130800       1.819100     -0.2509000    
 H   -3.473200       1.143500      -1.767200    
 H   -4.621600     -0.6381000     -0.2902000    
 H   -2.377600       3.086400       1.008700    
 H   -2.465100       1.563000       1.905100    
 H  -0.9010000       2.251700       1.487600    
 H    2.391400      -2.332200      0.1932000    


%chk=000025377-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025377

0 1
S 1.094604 1.150123 -0.168760
O -2.438457 -2.193022 0.336572
O 4.618642 -0.759118 -0.001277
O 4.063864 1.462579 -0.237479
N -1.465384 0.002823 -0.058452
N -3.695412 -0.273447 -0.253061
N 0.437275 -1.473963 0.113110
N 3.756220 0.205684 -0.098724
C -2.023605 1.385578 -0.189723
C -3.466451 1.102349 -0.711746
C -2.019097 2.135064 1.159437
C -2.539445 -0.988311 0.041430
C -0.122003 -0.266874 -0.009522
C 2.368346 -0.134645 -0.050279
C 1.815251 -1.404869 0.090439
H -1.438469 1.942649 -0.944185
H -4.188315 1.808007 -0.267266
H -3.522227 1.179980 -1.815133
H -4.590519 -0.756095 -0.298274
H -2.395533 3.163884 1.017384
H -2.668988 1.619468 1.888278
H -1.003140 2.200852 1.583846
H 2.408843 -2.315196 0.179784


