%chk=000132179.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132179

0 1
 S    2.635400      -1.021200       1.027500    
 S    6.093700       1.255100      0.2704000    
 O    3.030500      -1.290000       2.404600    
 O    2.752900      -2.076100      2.8300000E-02
 O   -5.017800       2.592100      0.1794000    
 O   -5.345400      -2.688400      -1.078700    
 O   -7.438900      -1.063900      -1.543600    
 N   -3.006800      0.8550000       1.016500    
 N    3.456300      0.3876000      0.4828000    
 N    5.105800     -0.8509000     -0.8046000    
 N    6.437500     -0.8283000      -1.181000    
 C   0.9790000     -0.4692000       1.024000    
 C   -1.683100      0.4155000       1.019300    
 C   0.4387000      0.1225000       2.165700    
 C   0.1955000     -0.6212000     -0.1200000    
 C  -0.8849000      0.5625000       2.163300    
 C   -1.128100     -0.1812000     -0.1223000    
 C   -4.065900      0.3495000      0.3041000    
 C   -5.163300       1.239800     -8.0399998E-02
 C    4.817900      0.1755000     -5.4699998E-02
 C   -4.115800     -0.9554000     -2.2399999E-02
 C    7.066400      0.2172000     -0.6883000    
 C    8.493100      0.5325000     -0.8999000    
 C   -6.281100      0.8185000     -0.6845000    
 C   -5.279200      -1.519300     -0.7333000    
 C   -6.432400     -0.6053000      -1.027400    
 C    8.730400       1.404800      -2.138300    
 C   -4.390300       3.242100     -0.9065000    
 H    1.032600      0.2566000       3.065400    
 H   0.6002000      -1.065300      -1.025100    
 H   -1.292600       1.022900       3.060300    
 H   -1.692600     -0.2817000      -1.045800    
 H   -3.203300       1.675600       1.580000    
 H    3.419800       1.203900       1.107800    
 H   -3.352800      -1.672500      0.2598000    
 H    8.921800       1.030300     -2.1800000E-02
 H    9.050400     -0.4043000      -1.022100    
 H   -7.083100       1.495500     -0.9551000    
 H    8.351200      0.9148000      -3.041500    
 H    9.801100       1.588100      -2.271200    
 H    8.226900       2.372500      -2.042300    
 H   -4.279000       4.300200     -0.6505000    
 H   -4.999800       3.181200      -1.815100    
 H   -3.389900       2.839300      -1.099900    


%chk=000132179-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132179

0 1
S 3.006917 0.049007 2.876402
S 6.568184 0.739531 0.289787
O 3.064133 0.829316 4.302747
O 3.467348 -1.495508 2.722315
O -4.708348 2.160173 -0.011285
O -3.804812 -2.813238 -2.289367
O -6.062570 -1.294048 -3.127234
N -2.557253 0.900914 0.615215
N 4.155121 1.191121 1.745620
N 4.081309 -0.132141 -0.241489
N 4.882760 -0.634441 -1.267061
C 1.312426 0.307499 2.124150
C -1.253435 0.644510 1.090898
C 0.402667 1.089737 2.856213
C 1.008864 -0.291512 0.890776
C -0.890171 1.250106 2.330091
C -0.288754 -0.118397 0.372125
C -3.339991 0.219581 -0.311168
C -4.587100 0.950177 -0.689647
C 4.758562 0.603043 0.656852
C -3.098202 -1.031244 -0.858680
C 6.163956 -0.282935 -1.196751
C 7.204988 -0.630722 -2.221037
C -5.486794 0.455253 -1.600837
C -4.007553 -1.650739 -1.819340
C -5.264524 -0.842756 -2.255170
C 7.798306 0.608499 -2.940890
C -5.894977 2.991262 -0.274404
H 0.696150 1.537718 3.810482
H 1.776223 -0.832417 0.327307
H -1.630134 1.837082 2.886114
H -0.519331 -0.531579 -0.611034
H -3.019444 1.733132 1.000053
H 4.741852 1.729578 2.400693
H -2.242869 -1.639469 -0.559268
H 8.020253 -1.208083 -1.744541
H 6.715961 -1.297238 -2.953375
H -6.393055 0.996126 -1.887415
H 7.005495 1.184476 -3.448447
H 8.533625 0.286887 -3.699160
H 8.311200 1.281197 -2.230363
H -5.775881 3.875195 0.367059
H -6.815741 2.442460 -0.006474
H -5.924361 3.289788 -1.337561


