%chk=000126599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126599

0 1
 S   0.7486000      -1.201700      0.5401000    
 O  -0.2910000       1.249200      0.3760000    
 O   -4.229700      0.1394000      5.9599999E-02
 O   -3.453900       2.827100     -0.6085000    
 O   0.6458000       3.811200      6.7400001E-02
 O   -2.712800      -3.022600       1.346600    
 N   -2.175000      -1.814300     -0.5687000    
 N    5.283900     -0.6624000      -1.221500    
 N    5.886300      -1.157900     -0.2545000    
 C   -1.918400     -0.5391000      6.8899997E-02
 C   -2.935300      0.4984000     -0.4300000    
 C   -2.596800       1.907000      6.2199999E-02
 C  -0.4811000     -5.2000001E-02 -0.1841000    
 C   -1.130300       2.239200     -0.2199000    
 C  -0.7210000       3.588100      0.3629000    
 C    4.737800     -0.3505000      7.6600000E-02
 C    3.488000      -1.069200      0.4875000    
 C    2.239800     -0.3118000      4.6799999E-02
 C    4.943900      0.9936000      0.6368000    
 C   -2.550800      -2.946200      0.1315000    
 C   -2.777900      -4.125800     -0.7757000    
 H   -2.068700     -0.6518000       1.151500    
 H   -2.999900      0.4832000      -1.525100    
 H   -2.808700       1.983400       1.135500    
 H  -0.2827000     -1.1400000E-02  -1.262800    
 H  -0.9319000       2.262200      -1.300100    
 H   -2.078000      -1.866900      -1.578800    
 H  -0.8351000       3.605900       1.451900    
 H   -1.305800       4.406600     -6.6500001E-02
 H    3.494900      -1.189400       1.578600    
 H    3.478900      -2.081300      6.0699999E-02
 H    2.222500      0.6817000      0.5045000    
 H    2.243800     -0.1848000      -1.041100    
 H   -4.198600      0.1498000       1.031500    
 H   -3.243500       2.797000      -1.557500    
 H    4.302000       1.730900      0.1439000    
 H    4.726500       1.014000       1.710000    
 H    5.978700       1.332300      0.5106000    
 H    1.153800       3.076200      0.4513000    
 H   -2.892800      -5.033900     -0.1775000    
 H   -3.685700      -3.964900      -1.363600    
 H   -1.925300      -4.255300      -1.448600    


%chk=000126599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126599

0 1
S 0.796279 -1.046724 0.995983
O -0.324312 1.399085 0.656916
O -4.306262 0.278229 0.046529
O -3.514876 2.861592 -0.577601
O 0.579367 4.031531 0.328227
O -4.227199 -2.224054 -0.601110
N -1.938945 -1.875741 -0.207948
N 5.080657 -1.139011 -1.378459
N 5.841418 -1.563468 -0.414770
C -1.916869 -0.495939 0.351023
C -2.918368 0.497012 -0.318411
C -2.647136 1.943135 0.153380
C -0.474408 0.048337 0.134375
C -1.195689 2.367116 -0.082574
C -0.847809 3.741735 0.490706
C 4.843546 -0.456931 -0.006505
C 3.602886 -0.899696 0.755591
C 2.319864 -0.495664 0.000185
C 5.381364 0.944687 0.183013
C -3.018857 -2.642830 -0.579223
C -2.702831 -4.075079 -0.988086
H -2.140111 -0.519423 1.438161
H -2.775649 0.442652 -1.422819
H -2.867623 1.979315 1.243186
H -0.239272 0.032346 -0.953065
H -0.944024 2.328495 -1.163865
H -1.023946 -2.343844 -0.163508
H -1.146614 3.782261 1.559562
H -1.390613 4.520377 -0.065237
H 3.603542 -0.436417 1.759690
H 3.620813 -1.996768 0.902144
H 2.240433 0.599358 -0.100937
H 2.279245 -0.964856 -0.996627
H -4.534848 -0.683639 -0.206848
H -4.423909 2.457814 -0.543165
H 4.587985 1.697853 0.020173
H 5.768023 1.077854 1.210873
H 6.202516 1.162578 -0.520517
H 1.071450 3.281704 0.752966
H -3.224254 -4.765450 -0.302780
H -3.105053 -4.256097 -1.999038
H -1.625409 -4.310235 -0.981192


