%chk=000134294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134294

0 1
 S    1.214500       2.817200       1.368300    
 S   -4.255400      1.9800000E-02 -0.1030000    
 O   -4.037100      -1.408600     -0.2906000    
 O   -5.242600      0.4688000      0.8697000    
 N    2.189300      -3.175800      0.3719000    
 N   0.9402000      0.1627000     -0.2261000    
 N   -4.624700      0.7196000      -1.617900    
 C  -0.1381000      -2.018900      0.2459000    
 C   0.9078000      -1.258800     -0.5940000    
 C  -0.2016000      -3.452500     -0.3080000    
 C   0.3573000      -2.118100       1.699700    
 C    2.290900      -1.911000     -0.3928000    
 C    1.209200      -4.065400     -0.2896000    
 C    1.702800      -2.860500       1.732900    
 C  -0.2770000      0.7561000      0.1943000    
 C    2.170700      0.8497000     -0.3826000    
 C  -0.2842000       1.972900      0.9046000    
 C    2.405800       2.075900      0.2702000    
 C   -1.531700      0.1820000     -0.1060000    
 C    3.197800      0.3626000      -1.220400    
 C   -2.732000      0.7731000      0.2980000    
 C   -1.494700       2.560900       1.312900    
 C    3.624900       2.757100      0.1054000    
 C    4.405800       1.046000      -1.384400    
 C   -2.713200       1.962200       1.011000    
 C    4.620900       2.243000     -0.7183000    
 C   -3.705400      0.5404000      -2.750900    
 H   -1.189400      -1.802500      0.3255000    
 H   0.6345000      -1.332200      -1.656500    
 H  -0.8758000      -4.067000      0.3021000    
 H  -0.5998000      -3.451300      -1.329700    
 H   0.4596000      -1.129600       2.159700    
 H  -0.3719000      -2.670600       2.306000    
 H    2.735000      -2.207300      -1.350400    
 H    3.021900      -1.358100      0.2016000    
 H    1.186300      -5.035600      0.2221000    
 H    1.537400      -4.282600      -1.313800    
 H    2.448100      -2.257900       2.267100    
 H    1.606700      -3.786400       2.314100    
 H   -1.616100     -0.5577000     -0.9037000    
 H    3.032500     -0.4166000      -1.956400    
 H   -1.500400       3.495500       1.870300    
 H    3.810700       3.699700      0.6163000    
 H   -3.630100       2.447100       1.332200    
 H    5.154400      0.6665000      -2.074100    
 H    5.553300       2.783100     -0.8504000    
 H   -5.188600       1.578300      -1.632100    
 H   -4.266400      0.6682000      -3.681200    
 H   -3.269000     -0.4611000      -2.757700    
 H   -2.916500       1.295900      -2.719700    


%chk=000134294-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134294

0 1
S 1.316733 2.216190 1.934713
S -4.346149 0.332855 -0.632790
O -4.093045 -1.173041 -1.191256
O -5.533185 0.742473 0.396734
N 2.406217 -3.399984 0.528705
N 0.920268 -0.063802 0.012520
N -4.673531 1.344867 -2.131405
C 0.041317 -2.357762 0.658707
C 0.907502 -1.521505 -0.341378
C -0.045726 -3.809050 0.109790
C 0.695630 -2.366994 2.066852
C 2.360622 -2.164540 -0.290356
C 1.411607 -4.388032 0.014618
C 2.097366 -3.063402 1.951972
C -0.301267 0.603817 0.320106
C 2.013267 0.784505 -0.373224
C -0.290423 1.723600 1.202634
C 2.317298 1.926211 0.415397
C -1.542497 0.214582 -0.252324
C 2.769326 0.564970 -1.554883
C -2.700635 0.905315 0.127530
C -1.475480 2.405627 1.548563
C 3.357800 2.807456 0.062595
C 3.835713 1.424904 -1.894013
C -2.719980 1.982931 1.027899
C 4.138473 2.545353 -1.087077
C -3.695784 1.202213 -3.226805
H -0.977839 -1.948173 0.735639
H 0.482159 -1.658350 -1.362659
H -0.671971 -4.410807 0.794134
H -0.547939 -3.817414 -0.876693
H 0.793277 -1.332897 2.443766
H 0.034769 -2.911364 2.766614
H 2.706625 -2.415224 -1.309058
H 3.079784 -1.449280 0.143063
H 1.515188 -5.315980 0.604370
H 1.681742 -4.626950 -1.030447
H 2.903153 -2.408347 2.328893
H 2.131371 -4.002055 2.533534
H -1.611548 -0.615752 -0.961485
H 2.524633 -0.280660 -2.204219
H -1.427597 3.254618 2.237767
H 3.557729 3.686271 0.684422
H -3.662081 2.450049 1.329950
H 4.420373 1.226015 -2.798590
H 4.961817 3.215932 -1.352819
H -4.902008 2.303298 -1.823621
H -4.137580 1.664915 -4.126887
H -3.565496 0.126923 -3.434269
H -2.703399 1.663674 -3.033726


