%chk=000103067.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103067

0 1
 S   -5.484200       2.172900      0.2312000    
 S    3.264600      -2.851100      0.2193000    
 S    4.093600       3.376100      1.5900001E-02
 O   -6.050000       2.410500      -1.284200    
 O    2.469400      -3.227300      -1.157500    
 O   -6.510200       1.438800      0.9572000    
 O   -4.987100       3.444800      0.7322000    
 O    3.925100       3.781200      -1.559200    
 O    4.583400      -3.457600      0.1301000    
 O    2.387700      -3.137100       1.342600    
 O    2.997400       4.007600      0.7360000    
 O    5.474300       3.624900      0.4007000    
 N   0.5260000     -0.9183000     -0.5965000    
 N    1.087000     -0.7516000      0.5102000    
 N   -4.571300      -3.123300      0.1709000    
 C   -3.160900      -1.117600     -6.0199998E-02
 C   -1.873900     -0.5616000     -0.2536000    
 C  -0.7708000      -1.418100     -0.4013000    
 C   -4.264100     -0.2610000      8.7300003E-02
 C   -3.306900      -2.513800     -2.0199999E-02
 C   -4.100600       1.123800      4.4700000E-02
 C   -1.728000      0.8347000     -0.2939000    
 C   -2.835000       1.670700     -0.1455000    
 C  -0.9342000      -2.803000     -0.3587000    
 C    3.468900      -1.113600      0.1672000    
 C   -2.199900      -3.349800     -0.1686000    
 C    2.385600     -0.2514000      0.3142000    
 C    3.852400       1.648000      7.3500000E-02
 C    2.572900       1.127800      0.2679000    
 C    4.748500     -0.5933000     -2.7400000E-02
 C    4.940300      0.7876000     -7.4199997E-02
 H   -5.266800     -0.6511000      0.2274000    
 H  -0.7584000       1.301900     -0.4481000    
 H   -2.684800       2.745700     -0.1912000    
 H  -8.5100003E-02  -3.469700     -0.4730000    
 H   -2.310000      -4.431000     -0.1380000    
 H    1.716900       1.788200      0.3792000    
 H    5.615900      -1.234900     -0.1501000    
 H    5.944500       1.169400     -0.2350000    
 H   -5.417700      -2.588600      0.2902000    
 H   -4.631100      -4.133500      0.1931000    
 H   -6.356100       1.598800      -1.753200    
 H    2.941300      -3.002800      -1.993700    
 H    3.040000       3.593600      -1.951500    


%chk=000103067-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103067

0 1
S -6.122888 1.994266 0.018792
S 3.745016 -3.086083 -0.309403
S 4.189963 3.381456 0.178594
O -6.217174 2.184443 -1.826601
O 3.104379 -3.092721 -2.050553
O -7.314032 1.012007 0.508260
O -5.942472 3.464521 0.667565
O 4.273840 3.683242 -1.651533
O 5.281789 -3.599509 -0.323568
O 2.705346 -3.848865 0.662939
O 2.814419 4.003509 0.756924
O 5.615984 3.772030 0.833830
N 0.314897 -0.423597 0.010743
N 1.400339 -1.166243 -0.056208
N -4.571726 -3.238190 0.394472
C -3.380881 -1.087946 0.169479
C -2.116415 -0.391273 0.074292
C -0.882336 -1.151166 0.090283
C -4.590311 -0.329939 0.137171
C -3.390374 -2.538640 0.291269
C -4.510337 1.051277 0.029103
C -2.108613 1.037674 -0.030712
C -3.295128 1.773119 -0.055544
C -0.932451 -2.567144 0.208465
C 3.814735 -1.197290 -0.170531
C -2.154103 -3.242428 0.309579
C 2.616185 -0.447598 -0.068484
C 4.033282 1.507300 0.019140
C 2.748708 0.970415 0.028880
C 5.100514 -0.639200 -0.177812
C 5.224537 0.763943 -0.076301
H -5.583310 -0.786829 0.207961
H -1.141037 1.540722 -0.093425
H -3.296528 2.864736 -0.121414
H 0.015710 -3.115173 0.234687
H -2.164919 -4.333645 0.411938
H 1.850476 1.588591 0.121068
H 5.976529 -1.289813 -0.260982
H 6.201143 1.255575 -0.059207
H -5.479773 -2.781275 0.400757
H -4.557836 -4.252500 0.478915
H -6.958228 2.828150 -2.026502
H 3.025348 -4.049759 -2.335656
H 4.406331 4.665752 -1.794469


