%chk=000118740.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118740

0 1
 S    3.908500       1.317800     -5.9300002E-02
 O   -1.657200      -2.488600      1.2800000E-02
 O   -1.279100       2.840600     -2.2500001E-02
 O    4.086800       1.990000       1.418400    
 O    4.874400      0.2362000     -0.1577000    
 O    3.878800       2.384800      -1.044500    
 N   0.9325000      -2.811300     -1.5799999E-02
 N    1.308100       2.795700     -4.3499999E-02
 C  -0.2064000     -0.6144000     -1.3000000E-02
 C  -0.1067000      0.7785000     -2.1100000E-02
 C   0.9540000      -1.397600     -1.9900000E-02
 C    1.153500       1.388100     -3.5500001E-02
 C    2.307400      0.6039000     -4.2199999E-02
 C   -2.745900     -0.4323000      9.7000003E-03
 C   -1.529800      -1.270600      3.1000001E-03
 C   -2.646100      0.9606000      1.3000000E-03
 C   -1.322900       1.616900     -1.4500000E-02
 C    2.207900     -0.7860000     -3.4499999E-02
 C   -4.006100      -1.042000      2.4900001E-02
 C   -3.806600       1.743800      8.0000004E-03
 C    2.121400      -3.602800     -2.5800001E-02
 C   -5.160000     -0.2577000      3.1700000E-02
 C   -5.060500       1.132200      2.3399999E-02
 C    1.794200      -5.085700      1.6500000E-02
 H    3.119100      -1.372300     -3.8800001E-02
 H   3.2400001E-02  -3.274500     -8.5000005E-03
 H   -4.113300      -2.123400      3.1700000E-02
 H   -3.758900       2.829500      1.8000000E-03
 H    2.706800      -3.413200     -0.9333000    
 H    2.746100      -3.378800      0.8473000    
 H    2.222300       3.224000     -2.3700001E-02
 H   0.4979000       3.398800     -3.8600001E-02
 H   -6.137300     -0.7314000      4.3499999E-02
 H   -5.960500       1.740300      2.8700000E-02
 H    1.228500      -5.336900      0.9202000    
 H    1.189300      -5.378400     -0.8483000    
 H    2.712300      -5.681300      9.9999998E-03
 H    4.049700       1.360900       2.176800    


%chk=000118740-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118740

0 1
S 4.023289 1.322949 0.008391
O -1.649272 -2.583176 0.044333
O -1.324067 2.936142 -0.095357
O 4.096698 1.509637 1.855303
O 5.098353 0.207924 -0.449588
O 4.079964 2.814097 -0.641822
N 0.918149 -2.805568 0.004873
N 1.253134 2.845898 -0.139615
C -0.229217 -0.622568 -0.007180
C -0.141205 0.816390 -0.046959
C 0.968520 -1.434229 -0.011164
C 1.143265 1.486634 -0.074432
C 2.290118 0.616780 -0.049303
C -2.767618 -0.459548 0.013752
C -1.541802 -1.289899 0.019045
C -2.681193 0.960531 -0.025475
C -1.363822 1.642281 -0.058437
C 2.236946 -0.765513 -0.016273
C -4.039957 -1.087141 0.046219
C -3.868194 1.737662 -0.031785
C 2.094437 -3.686400 0.006463
C -5.212239 -0.309406 0.039725
C -5.126071 1.107986 0.000437
C 1.654680 -5.159735 -0.001475
H 3.170803 -1.334927 -0.003805
H -0.051418 -3.188783 0.023661
H -4.075272 -2.180177 0.075538
H -3.770911 2.826863 -0.061941
H 2.726678 -3.480607 -0.882472
H 2.719800 -3.488377 0.902435
H 2.171630 3.286536 -0.261098
H 0.354142 3.362694 -0.143737
H -6.192877 -0.796487 0.064914
H -6.040377 1.710929 -0.004807
H 1.047071 -5.397856 0.889866
H 1.056742 -5.390629 -0.901089
H 2.538749 -5.819984 0.000910
H 4.966943 1.952476 2.080751


