%chk=000034331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034331

0 1
 S   -3.150700       1.685200       1.886000    
 P   -2.746100      0.4492000      0.4273000    
 O   8.4100001E-02  0.7392000      0.3448000    
 O   -4.064500     -0.2265000     -0.2531000    
 O   -1.892600     -0.8657000      0.8788000    
 O   0.2726000       1.675800      -1.764800    
 N   -1.826000       1.120000     -0.9105000    
 C    4.463500      -1.317900     -0.3406000    
 C    3.618600     -0.1778000      0.1178000    
 C    4.310500      -1.595500      -1.848200    
 C    4.195600      -2.607900      0.4577000    
 C    2.229600     -0.2536000      1.5500000E-02
 C    4.217600      0.9643000      0.6492000    
 C    1.476100      0.8147000      0.4474000    
 C    3.427400       2.030700       1.078300    
 C    2.038400       1.954900      0.9761000    
 C  -0.4273000       1.219900     -0.8623000    
 C   -2.529800       1.581400      -2.101900    
 C   -5.040900     -0.8705000      0.5489000    
 C   -1.662500      -1.919900     -4.1400000E-02
 C   -6.142400      -1.399200     -0.3448000    
 C  -0.8510000      -3.001000      0.6399000    
 H    5.520000      -1.064800     -0.1769000    
 H    3.299900      -1.933600      -2.101800    
 H    5.012400      -2.373100      -2.168400    
 H    4.518800     -0.6927000      -2.433100    
 H    4.322100      -2.433700       1.532000    
 H    4.895800      -3.396000      0.1599000    
 H    3.180100      -2.985800      0.2965000    
 H    1.743000      -1.132100     -0.3968000    
 H    5.298100       1.040000      0.7363000    
 H    3.893500       2.920100       1.492300    
 H    1.423000       2.784100       1.310500    
 H   -1.878300       2.162600      -2.758600    
 H   -2.896600      0.7041000      -2.641000    
 H   -3.374300       2.200400      -1.788600    
 H   -4.575400      -1.689700       1.104900    
 H   -5.466900     -0.1580000       1.260500    
 H   -2.616900      -2.335700     -0.3763000    
 H   -1.122500      -1.544500     -0.9148000    
 H   -6.915500      -1.902000      0.2429000    
 H   -6.603400     -0.5840000     -0.9124000    
 H   -5.738000      -2.107000      -1.076000    
 H  -0.6448000      -3.826700     -4.6799999E-02
 H   9.9299997E-02  -2.599700       1.006300    
 H   -1.386800      -3.392000       1.511200    


%chk=000034331-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034331

0 1
S -2.201898 2.063318 1.038508
P -2.526320 0.210935 0.214026
O 0.175312 -0.242503 0.002910
O -4.119305 -0.074299 -0.439840
O -2.332243 -1.046655 1.388083
O 0.416139 -0.582370 -2.332972
N -1.679004 -0.298336 -1.285196
C 5.185142 -0.312633 -0.799037
C 3.957141 -0.083557 0.087624
C 5.186336 0.636156 -2.027789
C 5.297132 -1.794057 -1.248702
C 2.652414 -0.290686 -0.435404
C 4.102294 0.336432 1.432269
C 1.539494 -0.059316 0.396740
C 2.968284 0.556946 2.249864
C 1.670816 0.362595 1.737223
C -0.280544 -0.384391 -1.311645
C -2.407438 -0.432011 -2.572445
C -5.276806 0.541517 0.274625
C -2.350608 -2.478632 0.959607
C -6.518251 0.179724 -0.535286
C -2.298435 -3.294954 2.248174
H 6.081649 -0.077167 -0.190586
H 4.315122 0.440850 -2.679720
H 6.101278 0.486380 -2.630650
H 5.144196 1.695221 -1.715903
H 5.333545 -2.475097 -0.379306
H 6.212609 -1.947755 -1.849970
H 4.431076 -2.084961 -1.871575
H 2.504106 -0.611194 -1.468403
H 5.107638 0.495749 1.840013
H 3.094450 0.887947 3.286358
H 0.770052 0.541157 2.331232
H -1.655862 -0.675853 -3.339871
H -3.161752 -1.230674 -2.510518
H -2.909098 0.512926 -2.838529
H -5.323406 0.135739 1.303155
H -5.116025 1.634404 0.329373
H -3.274068 -2.676727 0.381479
H -1.468283 -2.670932 0.321061
H -7.414357 0.614908 -0.055505
H -6.445181 0.577639 -1.561766
H -6.649694 -0.914413 -0.590639
H -2.291342 -4.374673 2.008804
H -1.385266 -3.055851 2.818483
H -3.174238 -3.080846 2.883545


