%chk=000171439.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171439

0 1
 S   0.6132000       2.764600     -0.7118000    
 O    3.949000       1.895600      0.9264000    
 N   -2.134000      8.7000001E-03 -0.4586000    
 N    2.077800      0.7301000      5.1800001E-02
 N   -5.766300     -0.3340000      0.3353000    
 C   0.6505000      0.9682000     -0.2637000    
 C  -0.2631000      0.7929000      0.9711000    
 C   0.1070000      0.2062000      -1.494000    
 C   -1.759500      0.8990000      0.6475000    
 C   -1.408500      0.3596000      -1.686600    
 C   -3.578300      6.1600000E-02 -0.6878000    
 C    2.045300       3.151400      0.2796000    
 C    2.818200       1.869500      0.4441000    
 C    2.684400     -0.5790000      5.4800000E-02
 C   -4.326200     -0.4038000      0.5579000    
 C    4.052300     -0.7115000     -0.1765000    
 C    1.901000      -1.707100      0.2902000    
 C    4.638900      -1.977100     -0.1726000    
 C    2.487600      -2.972600      0.2943000    
 C   -6.493300     -0.7439000       1.537800    
 C   -6.152600      -1.170600     -0.8019000    
 C    3.856500      -3.107700      6.2799998E-02
 H  -1.0500000E-02   1.520900       1.754500    
 H  -9.7400002E-02 -0.1777000       1.447100    
 H   0.2981000     -0.8670000      -1.424900    
 H   0.6286000      0.5184000      -2.409100    
 H   -2.250200      0.6271000       1.585000    
 H   -2.034900       1.938700      0.4308000    
 H   -1.656800       1.376200      -2.016100    
 H   -1.707700     -0.3144000      -2.499300    
 H   -3.897500       1.072500     -0.9752000    
 H   -3.788600     -0.6062000      -1.529700    
 H    1.743000       3.520000       1.263400    
 H    2.665300       3.898100     -0.2226000    
 H   -4.011200      -1.418200      0.8376000    
 H   -4.128900      0.2534000       1.408200    
 H    4.690600      0.1322000     -0.4170000    
 H   0.8396000      -1.671400      0.4913000    
 H    5.702600      -2.084000     -0.3648000    
 H    1.879700      -3.853400      0.4803000    
 H   -7.574000     -0.6400000       1.389100    
 H   -6.233700     -0.1001000       2.385700    
 H   -6.281300      -1.782900       1.815200    
 H   -7.245200      -1.250700     -0.8618000    
 H   -5.751100      -2.188100     -0.7311000    
 H   -5.854700     -0.7264000      -1.756600    
 H    4.312800      -4.093200      6.3699998E-02


%chk=000171439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171439

0 1
S 0.559806 3.047692 -0.260737
O 4.263834 1.748585 0.509276
N -2.116456 0.211507 -0.454419
N 2.124821 0.846772 0.127475
N -5.768588 -0.643528 0.223938
C 0.676789 1.107362 -0.106665
C -0.199781 0.643604 1.078631
C 0.163461 0.475131 -1.418199
C -1.695629 0.887660 0.797354
C -1.345950 0.728795 -1.611543
C -3.586010 0.247507 -0.662963
C 2.388143 3.273267 0.115293
C 3.032793 1.896320 0.275314
C 2.604594 -0.520285 0.248592
C -4.300484 -0.838799 0.171171
C 3.021137 -1.224262 -0.904725
C 2.692518 -1.126470 1.522602
C 3.506734 -2.545168 -0.784759
C 3.179080 -2.447567 1.639786
C -6.401064 -1.532384 1.220004
C -6.421002 -0.752567 -1.096848
C 3.582082 -3.159975 0.486843
H 0.105529 1.176096 1.997196
H -0.045199 -0.442653 1.228603
H 0.327105 -0.618789 -1.368560
H 0.730563 0.881505 -2.274499
H -2.289885 0.494469 1.641013
H -1.887070 1.990836 0.746736
H -1.517610 1.824691 -1.773224
H -1.684800 0.204501 -2.523788
H -4.027218 1.241437 -0.405476
H -3.776000 0.074069 -1.738501
H 2.520642 3.848084 1.045430
H 2.878699 3.807007 -0.713794
H -4.018555 -1.843294 -0.237248
H -3.923670 -0.799301 1.210676
H 2.979842 -0.729001 -1.880648
H 2.398472 -0.558331 2.411218
H 3.833413 -3.088776 -1.677821
H 3.251584 -2.915365 2.627613
H -7.480352 -1.306421 1.289002
H -5.951908 -1.357312 2.214368
H -6.290976 -2.621185 0.979045
H -7.508265 -0.594455 -0.982045
H -6.267493 -1.749828 -1.585274
H -6.042829 0.026341 -1.780886
H 3.961655 -4.183622 0.579240


