%chk=000043782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043782

0 1
 S  -6.0000001E-03 -6.0000003E-04  0.3370000    
 O    1.378500      -1.404200      -1.375100    
 O   -3.163700     -0.1072000       2.371500    
 O   -2.406900      -2.233300       2.153400    
 O   -4.159600     -0.1542000      -2.219000    
 N    2.648800      0.1206000     -0.1625000    
 N   -3.201100      0.4108000     -0.1737000    
 C    3.926100     -0.1904000     -0.7931000    
 C    2.703700       1.160300      0.8666000    
 C    4.679000      -1.297000     -6.4300001E-02
 C    2.481100       2.555200      0.2948000    
 C    1.455100     -0.5286000     -0.5160000    
 C   -2.656000     -0.8827000      0.1551000    
 C   -1.248700      -1.073100     -0.4164000    
 C    6.023800      -1.613100     -0.7034000    
 C    2.558300       3.644800       1.355000    
 C   -2.716500      -1.161100       1.647800    
 C   -3.909300      0.6642000      -1.338100    
 C   -4.386800       2.089400      -1.419400    
 H    4.530700      0.7214000     -0.8587000    
 H    3.726500     -0.5163000      -1.821000    
 H    1.995200      0.9566000       1.674400    
 H    3.691700       1.115500       1.342600    
 H    4.842600      -1.011500      0.9815000    
 H    4.068500      -2.208000     -4.4199999E-02
 H    1.506500       2.613800     -0.2027000    
 H    3.230700       2.763100     -0.4782000    
 H   -3.316300      -1.627500     -0.3083000    
 H  -0.9380000      -2.112200     -0.2579000    
 H   -1.260500     -0.8904000      -1.496900    
 H    5.895900      -1.943000      -1.739200    
 H    6.674000     -0.7325000     -0.7003000    
 H    6.528500      -2.411700     -0.1509000    
 H    1.793400       3.496000       2.123600    
 H    3.539200       3.648200       1.840900    
 H    2.399100       4.628000      0.9014000    
 H   -3.043600       1.172600      0.4802000    
 H   -3.560800       2.777100      -1.216300    
 H   -4.772700       2.292300      -2.422200    
 H   -5.183300       2.249700     -0.6877000    
 H   -3.201200     -0.3102000       3.330500    


%chk=000043782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043782

0 1
S -0.102126 0.795652 -0.553500
O 1.455819 -1.325188 -1.448307
O -2.085389 -1.045562 2.039985
O -1.194684 -2.716237 0.693064
O -4.474658 0.286248 -1.884051
N 2.612179 0.315735 -0.257625
N -3.266460 0.247689 0.092571
C 3.897780 -0.411292 -0.438382
C 2.635548 1.587718 0.498601
C 4.151652 -1.458653 0.670163
C 2.932835 2.822733 -0.384799
C 1.483119 -0.241314 -0.807915
C -2.424850 -0.863018 -0.367067
C -1.308632 -0.418104 -1.347482
C 5.508272 -2.169808 0.480051
C 3.004240 4.117603 0.451945
C -1.835436 -1.653942 0.797617
C -4.267917 0.752291 -0.719705
C -5.092377 1.890585 -0.130256
H 4.710277 0.340183 -0.453581
H 3.874944 -0.912902 -1.421776
H 1.669295 1.721767 1.019367
H 3.410882 1.494856 1.284012
H 4.120419 -0.963539 1.661277
H 3.328767 -2.196414 0.648448
H 2.142910 2.909603 -1.154019
H 3.889271 2.666714 -0.921731
H -3.067404 -1.555711 -0.949588
H -0.696448 -1.276111 -1.681337
H -1.774872 0.081939 -2.208863
H 5.548336 -2.694320 -0.492706
H 6.349373 -1.451203 0.512429
H 5.676221 -2.920636 1.272553
H 2.048161 4.307931 0.974654
H 3.802653 4.060964 1.216139
H 3.214913 4.991378 -0.189800
H -3.117373 0.595903 1.040810
H -4.806557 2.151152 0.903266
H -4.981294 2.784801 -0.767678
H -6.158912 1.607996 -0.147978
H -1.666579 -1.586684 2.761995


