%chk=000157592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157592

0 1
 S    1.637400      -3.291900      0.6925000    
 O   -1.224600      0.2364000      0.6062000    
 O   -5.176000     -0.4989000     -0.2988000    
 O   -4.232900       2.214700     -0.1320000    
 O   -3.097800      -2.276400      -1.289000    
 O  -0.1657000       2.721100       1.077000    
 O    3.300800       1.118500     -0.4700000    
 O    5.026900     -0.2815000      9.2500001E-02
 N  -0.5912000      -1.963900      0.1082000    
 N    1.472900     -0.8221000     -5.2900001E-02
 C   -3.825400     -0.1053000     -0.5503000    
 C   -3.475700       1.098000      0.3264000    
 C   -2.897200      -1.290600     -0.2769000    
 C   -1.975200       1.399600      0.2487000    
 C   -1.430600     -0.8536000     -0.2913000    
 C   -1.560700       2.514600       1.203700    
 C   0.7660000      -1.898000      0.2049000    
 C    2.808900      -1.110200      0.1473000    
 C    3.093700      -2.397200      0.5528000    
 C    3.807300     -0.1006000     -6.5800004E-02
 C    4.243100       2.171900     -0.7006000    
 C    3.496200       3.415700      -1.132700    
 H   -3.784700      0.1731000      -1.611100    
 H   -3.778600      0.8958000       1.360800    
 H   -3.166000      -1.744800      0.6856000    
 H   -1.687200       1.699900     -0.7680000    
 H   -1.138600     -0.5506000      -1.306000    
 H   -1.766100       2.246800       2.245500    
 H   -2.072200       3.453400      0.9732000    
 H   -1.054900      -2.834200      0.3544000    
 H   -5.360200      -1.276100     -0.8537000    
 H   -3.942400       2.424300      -1.036100    
 H   -2.509400      -3.025300      -1.095900    
 H   0.2765000       1.877800       1.275100    
 H    4.052200      -2.848200      0.7688000    
 H    4.796200       2.373100      0.2233000    
 H    4.943500       1.867400      -1.486000    
 H    4.187300       4.242900      -1.317100    
 H    2.923100       3.223200      -2.045700    
 H    2.777200       3.719500     -0.3648000    


%chk=000157592-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157592

0 1
S 1.776178 -3.507122 0.881597
O -1.251269 0.127453 0.831135
O -5.086536 -0.187982 -0.682202
O -3.918311 2.429741 -0.344904
O -3.150667 -2.222303 -1.415922
O 0.176981 2.634259 0.992199
O 3.150184 1.065228 -0.437396
O 5.047557 -0.281469 -0.174355
N -0.651793 -2.126677 0.340775
N 1.438327 -0.997570 -0.014688
C -3.634118 0.010567 -0.726726
C -3.332592 1.206157 0.198957
C -2.883705 -1.273511 -0.326019
C -1.807752 1.390639 0.273656
C -1.379166 -0.969631 -0.149560
C -1.271795 2.499286 1.174963
C 0.740128 -2.048425 0.360519
C 2.820008 -1.221606 0.086562
C 3.203248 -2.472671 0.547670
C 3.798717 -0.136100 -0.192024
C 4.017104 2.265362 -0.664479
C 3.076135 3.408425 -1.030949
H -3.317655 0.275627 -1.759815
H -3.738233 0.986688 1.209880
H -3.291352 -1.651153 0.638728
H -1.401197 1.549608 -0.749302
H -0.922435 -0.653612 -1.109002
H -1.524023 2.274211 2.232820
H -1.715842 3.465537 0.889750
H -1.097713 -2.670912 1.084710
H -5.315759 -0.926522 -1.302102
H -4.875723 2.242765 -0.527106
H -2.617716 -3.045663 -1.275267
H 0.577885 1.723618 0.981465
H 4.213718 -2.829454 0.732281
H 4.577852 2.458354 0.268585
H 4.743127 2.025561 -1.462338
H 3.655035 4.343765 -1.141659
H 2.561759 3.202805 -1.985372
H 2.307310 3.555029 -0.252864


