%chk=000104042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104042

1 1
 S   -4.544000      -1.896400      0.6026000    
 O  -0.1370000       3.627600      0.3660000    
 O   -5.656300      -2.600100     -0.3583000    
 O   -5.203900     -0.9397000       1.466200    
 O   -3.657500      -2.916600       1.122300    
 N  -0.9478000       1.729200     -0.5148000    
 C   -2.675000     -1.2400000E-02 -8.4200002E-02
 C   -1.885800      0.7893000      -1.121200    
 C   -3.685400      -1.005800     -0.6726000    
 C   0.3481000       1.483800     -0.1827000    
 C   -1.195200       2.959800     -0.1900000    
 C   0.8564000       2.663100      0.3660000    
 C   -2.983100      -2.000200      -1.593200    
 C    1.142700      0.3461000     -0.3029000    
 C    2.464600      0.4526000      0.1530000    
 C    2.161200       2.791400      0.8235000    
 C   -2.449900       3.707600     -0.3440000    
 C    2.960200       1.646300      0.7023000    
 C    3.339600     -0.6979000      5.4699998E-02
 C    4.110100     -0.8901000      -1.090900    
 C    3.409500      -1.610300       1.106100    
 C    4.952600      -1.997700      -1.185400    
 C    4.252100      -2.717900       1.011800    
 C    5.023700      -2.911600     -0.1341000    
 H   -3.201400      0.6877000      0.5764000    
 H   -1.968200     -0.5459000      0.5650000    
 H   -2.574100       1.341700      -1.772100    
 H   -1.310000      0.1277000      -1.776900    
 H   -4.447100     -0.4511000      -1.233000    
 H   -2.137100      -2.486100      -1.094600    
 H   -3.662100      -2.789900      -1.931400    
 H   -2.607200      -1.508900      -2.495800    
 H   0.7585000     -0.5768000     -0.7249000    
 H    2.539400       3.713500       1.246400    
 H   -2.696600       3.830000      -1.402900    
 H   -3.276700       3.185800      0.1465000    
 H   -2.375200       4.705200      0.1001000    
 H    3.991300       1.701600       1.048800    
 H   -6.352300      -1.998800     -0.7137000    
 H    4.066600     -0.1871000      -1.919500    
 H    2.814700      -1.474200       2.006200    
 H    5.553500      -2.148700      -2.077500    
 H    4.307500      -3.429600       1.830200    
 H    5.679700      -3.774000     -0.2076000    


%chk=000104042-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104042

1 1
S -5.123936 -0.481714 -0.275104
O -0.438254 3.285295 0.608133
O -4.907496 0.177311 -2.018259
O -4.849352 0.763140 0.733752
O -6.493389 -1.320411 -0.160932
N -1.069459 1.368438 -0.357662
C -2.322702 -0.761020 0.090137
C -1.929616 0.316718 -0.954769
C -3.479953 -1.652130 -0.368773
C 0.335462 1.249865 -0.126502
C -1.494809 2.578174 0.088385
C 0.725923 2.465533 0.475390
C -3.774187 -2.872803 0.495450
C 1.268189 0.240444 -0.409876
C 2.624587 0.488653 -0.056762
C 2.043337 2.752754 0.838544
C -2.850283 3.168830 0.060737
C 2.980091 1.735619 0.561445
C 3.669937 -0.537031 -0.323745
C 4.984936 -0.149017 -0.702681
C 3.373808 -1.924063 -0.213117
C 5.972524 -1.120443 -0.966561
C 4.363013 -2.894604 -0.472977
C 5.666216 -2.496331 -0.852478
H -2.600285 -0.275309 1.044790
H -1.463136 -1.424559 0.305320
H -2.825441 0.798649 -1.380878
H -1.370674 -0.130959 -1.795023
H -3.486803 -1.869743 -1.450239
H -3.791933 -2.628479 1.571337
H -4.735692 -3.340860 0.225259
H -2.979884 -3.623981 0.325146
H 0.989635 -0.687293 -0.917141
H 2.328852 3.694337 1.312310
H -3.123887 3.476501 -0.967238
H -3.616564 2.446085 0.404231
H -2.872753 4.063535 0.700894
H 4.021891 1.894337 0.854268
H -5.792102 0.497850 -2.358373
H 5.229949 0.911578 -0.829384
H 2.381147 -2.247444 0.122589
H 6.976708 -0.805808 -1.268257
H 4.124660 -3.958007 -0.367516
H 6.434828 -3.249438 -1.053973


