%chk=000041194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041194

0 1
 S    2.864700      0.4992000      -2.126100    
 P    3.008800      8.6900003E-02 -0.2253000    
 O    1.942400     -0.9738000      0.3796000    
 O    4.416200     -0.5782000      0.2533000    
 O    2.883000       1.328000      0.8193000    
 O   -2.189300       2.141200      -1.287900    
 O   -2.444100       2.384800      0.9575000    
 O   -4.246900      -1.810900     -6.2199999E-02
 O   -4.178500      0.3824000     -0.1220000    
 N   -3.609500     -0.7318000     -4.6500001E-02
 C   0.5792000     -0.9078000      0.2736000    
 C   -1.435800      0.3992000      8.3200000E-02
 C  -4.6599999E-02  0.3316000      0.1896000    
 C   -2.191500     -0.7732000      6.1099999E-02
 C  -0.1687000      -2.080400      0.2523000    
 C   -1.557900      -2.013000      0.1457000    
 C   -2.062600       1.712800     -3.5999999E-03
 C    4.760900      -1.884900     -0.1752000    
 C    3.676200       2.488000      0.6336000    
 H   0.5176000       1.257300      0.2127000    
 H   0.3215000      -3.047700      0.3178000    
 H   -2.110000      -2.949200      0.1320000    
 H    5.717200      -2.158600      0.2774000    
 H    4.864700      -1.911100      -1.262500    
 H    4.000800      -2.601900      0.1448000    
 H    3.671700       3.065300       1.561500    
 H    3.253800       3.101300     -0.1660000    
 H    4.706400       2.213000      0.3922000    
 H   -2.611600       3.025200      -1.338000    


%chk=000041194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041194

0 1
S 3.041507 0.551021 -2.127832
P 3.106641 -0.002972 -0.149266
O 1.874710 -1.106880 0.441952
O 4.482552 -0.858293 0.415301
O 2.944473 1.202654 1.059510
O -2.893049 1.782606 -1.465538
O -1.706528 2.879672 0.210493
O -4.433059 -1.695882 -0.176666
O -4.300571 0.464365 0.552608
N -3.766162 -0.638082 0.145588
C 0.493142 -0.916060 0.285218
C -1.501892 0.458071 -0.039495
C -0.100511 0.351075 0.080602
C -2.289658 -0.712716 0.096266
C -0.298123 -2.085051 0.376737
C -1.695697 -1.978241 0.291949
C -2.049367 1.821593 -0.357867
C 5.098866 -1.888401 -0.457740
C 3.735246 2.454719 0.939059
H 0.508603 1.257186 0.019452
H 0.191909 -3.049685 0.531506
H -2.339348 -2.856553 0.386033
H 6.082995 -2.077655 -0.005730
H 5.212580 -1.511507 -1.490540
H 4.485773 -2.805343 -0.446433
H 3.293387 3.127135 1.687844
H 3.634330 2.886132 -0.073471
H 4.793982 2.254272 1.174090
H -3.274632 2.686519 -1.631731


