%chk=000017522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017522

0 1
 S    2.287900      0.4313000      -2.163000    
 P    2.360800      0.1055000     -0.2415000    
 O    1.152000     -0.7613000      0.4034000    
 O    3.657700     -0.7237000      0.2905000    
 O    2.404400       1.406300      0.7349000    
 N   -5.446100      0.4740000     -0.2230000    
 C  -0.1876000     -0.5107000      0.2754000    
 C  -0.6327000      0.7978000      0.1166000    
 C   -1.092900      -1.566500      0.3059000    
 C   -1.997900       1.053200     -1.2800000E-02
 C   -2.458100      -1.310900      0.1765000    
 C   -2.910500     -1.1000000E-03  1.7100001E-02
 C    3.817800      -2.087000     -6.4400002E-02
 C    3.354000       2.431900      0.4997000    
 C   -4.308800      0.2611000     -0.1154000    
 H   4.5100000E-02   1.643000      9.6600004E-02
 H  -0.7446000      -2.588000      0.4297000    
 H   -2.335600       2.079700     -0.1347000    
 H   -3.157300      -2.143400      0.2016000    
 H    4.723300      -2.467300      0.4150000    
 H    3.923700      -2.185700      -1.147300    
 H    2.962400      -2.672000      0.2822000    
 H    3.424800       3.053300       1.395900    
 H    3.027300       3.054300     -0.3368000    
 H    4.336800       2.002800      0.2874000    


%chk=000017522-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017522

0 1
S 2.305574 0.269769 -2.233274
P 2.366737 0.032856 -0.191427
O 1.032285 -0.776795 0.594800
O 3.654792 -0.886256 0.480398
O 2.445328 1.438446 0.797377
N -5.650148 0.479139 -0.321669
C -0.324762 -0.458358 0.361527
C -0.773964 0.868279 0.165437
C -1.229491 -1.543232 0.392091
C -2.148983 1.105484 -0.014306
C -2.604128 -1.299738 0.224543
C -3.075842 0.026600 0.012821
C 4.084239 -2.127706 -0.207919
C 3.503620 2.439061 0.505434
C -4.481347 0.273932 -0.169579
H -0.060257 1.697668 0.172877
H -0.845021 -2.554881 0.547704
H -2.512134 2.125715 -0.170506
H -3.315710 -2.130485 0.248111
H 5.039554 -2.390173 0.268969
H 4.227501 -1.948159 -1.289114
H 3.340684 -2.926361 -0.044792
H 3.243717 3.304614 1.131540
H 3.493451 2.719301 -0.563908
H 4.490204 2.037881 0.792366


