%chk=000103873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103873

0 1
 S   0.9593000       2.247500     -0.8560000    
 O    3.816400       1.079600     -0.7244000    
 O    2.848300      -1.839600      0.3049000    
 O   -3.318800      0.6496000      0.2419000    
 O  -0.7834000      -2.408700       1.114600    
 O  -0.1816000      -2.744400      -1.066100    
 O   -5.206000     -0.3096000     -0.6832000    
 N    1.177800     -0.1792000      0.1987000    
 N    3.657400      0.9768000       1.688900    
 C    1.543500       1.194700      0.4918000    
 C    3.011000      0.7211000      0.4062000    
 C    2.412200     -0.7123000      0.3280000    
 C  -8.7200001E-02 -0.5779000     -9.2299998E-02
 C   -1.052400      0.3143000     -0.4189000    
 C  -0.7919000       1.809500     -0.5877000    
 C   -2.497300     -4.1000001E-02 -0.6756000    
 C  -0.3451000      -2.025500     -0.1008000    
 C    4.916000      0.1977000     -0.8666000    
 C   -4.668000      0.4269000      0.1323000    
 C   -5.410300       1.220500       1.164400    
 H    1.196000       1.516000       1.482300    
 H   -1.336900       2.185800      -1.460000    
 H   -1.157200       2.348100      0.2935000    
 H    4.500400      0.4298000       1.853800    
 H    3.066600      0.8127000       2.503700    
 H   -2.678100      -1.116500     -0.5772000    
 H   -2.761100      0.2472000      -1.701000    
 H    5.592800      0.6337000      -1.608000    
 H    4.592300     -0.7704000      -1.258500    
 H    5.488300      6.7599997E-02  5.5100001E-02
 H  -0.9696000      -3.371100       1.153300    
 H   -5.224400       2.287000       1.014900    
 H   -5.096600      0.9113000       2.164500    
 H   -6.483500       1.035700       1.062100    


%chk=000103873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103873

0 1
S 0.695382 2.024544 -0.778288
O 3.520506 1.264273 -0.654048
O 2.918956 -1.956106 -0.054129
O -3.605572 0.233072 0.401539
O 0.450647 -2.913735 1.309444
O -1.219287 -3.113887 -0.292737
O -4.347712 1.436623 -1.462173
N 1.077713 -0.421598 0.458283
N 3.729436 0.680321 1.712664
C 1.436660 1.009953 0.625777
C 2.953475 0.597701 0.519262
C 2.412108 -0.864177 0.256357
C -0.210277 -0.922521 0.178634
C -1.233617 -0.068442 -0.186618
C -1.054052 1.437277 -0.319690
C -2.642135 -0.542048 -0.458239
C -0.397894 -2.398114 0.330603
C 4.807076 0.702609 -1.104133
C -4.437841 1.161388 -0.244224
C -5.435556 1.737509 0.734863
H 1.128395 1.427217 1.596011
H -1.709545 1.817281 -1.122429
H -1.350932 1.943289 0.617162
H 4.263463 -0.131804 2.013475
H 4.031515 1.595959 2.041421
H -2.804157 -1.597180 -0.206778
H -2.914368 -0.360961 -1.515903
H 5.138785 1.359642 -1.922077
H 4.678183 -0.331227 -1.474473
H 5.555004 0.714115 -0.287504
H 0.367956 -3.905008 1.326912
H -4.950734 1.964709 1.698049
H -6.228908 0.993744 0.931240
H -5.893775 2.642484 0.310347


