%chk=000089968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089968

0 1
 S   -1.810600       3.014200     -0.8335000    
 O   -1.218600       4.177500     -0.1996000    
 O   -3.075700       3.139600      -1.531500    
 O   -3.508100      -2.471800       1.959400    
 N    4.056600      0.2484000      0.2811000    
 N  -0.6396000       2.279700      -1.861000    
 N   -4.508700      -3.125600     -0.5078000    
 N   -4.998300      -4.071700     -0.7162000    
 C    2.955800      0.9329000     -0.1772000    
 C    2.132900      8.2999999E-03 -0.8206000    
 C    3.973400      -1.085000     -4.3699998E-02
 C    2.776200      -1.267300     -0.7364000    
 C    5.155600      0.8506000       1.009600    
 C   0.9230000      0.4618000      -1.386900    
 C   0.5843000       1.816000      -1.288100    
 C    2.630800       2.290100     -7.0400000E-02
 C    4.861400      -2.133600      0.2220000    
 C    2.448400      -2.563300      -1.187200    
 C    1.427100       2.714900     -0.6392000    
 C   -2.008700       1.788300      0.4278000    
 C    4.928400      0.8347000       2.486300    
 C   -2.634400      0.5618000      0.1879000    
 C    4.514700      -3.408000     -0.2345000    
 C    3.326500      -3.622100     -0.9290000    
 C   -2.752400     -0.3642000       1.251500    
 C   -1.503900       2.114800       1.680700    
 C   -3.146800      0.2255000      -1.075800    
 C   -2.239700     -2.7799999E-02   2.515000    
 C   -1.619800       1.204000       2.726600    
 C   -3.379400      -1.599400       1.020100    
 C   -3.766900      -1.006300      -1.287700    
 C   -3.883300      -1.916900     -0.2417000    
 H    5.290400       1.874700      0.6460000    
 H    6.075600      0.3162000      0.7500000    
 H   0.2623000     -0.2374000      -1.893000    
 H    3.280000       3.000700      0.4296000    
 H    5.787500      -1.981200      0.7658000    
 H    1.525100      -2.746100      -1.729800    
 H    1.189800       3.773500     -0.5869000    
 H   -1.003200       1.707500      -2.633900    
 H    5.772900       1.295100       3.009000    
 H    4.023600       1.387500       2.761000    
 H    4.816900     -0.1867000       2.866100    
 H    5.182500      -4.244100     -4.3200001E-02
 H    3.076700      -4.621700      -1.274400    
 H   -1.011100       3.058800       1.889100    
 H   -3.069900      0.8623000      -1.947700    
 H   -2.302100     -0.7009000       3.367300    
 H   -1.226300       1.451400       3.708400    
 H   -4.150200      -1.248400      -2.275700    


%chk=000089968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089968

0 1
S -1.774155 2.984123 -0.617690
O -0.972754 4.068010 0.300498
O -3.116998 3.415602 -1.440869
O -4.090691 -2.821222 1.630907
N 4.397555 0.404101 0.192496
N -0.372666 2.326954 -2.043223
N -5.442060 -2.841069 -0.776128
N -6.061386 -3.837252 -0.853390
C 3.253043 1.041898 -0.300017
C 2.329916 0.041598 -0.783049
C 4.230745 -0.994393 0.062305
C 2.957789 -1.255513 -0.551458
C 5.549080 1.068990 0.821916
C 1.095973 0.439808 -1.322867
C 0.800259 1.832672 -1.436489
C 2.952840 2.425067 -0.367303
C 5.105917 -2.035998 0.434007
C 2.565205 -2.589727 -0.800688
C 1.733584 2.809233 -0.942267
C -2.152390 1.508974 0.558659
C 5.389850 1.232909 2.349746
C -3.012349 0.440065 0.171122
C 4.691736 -3.361476 0.174786
C 3.437224 -3.638308 -0.435749
C -3.127643 -0.646034 1.113286
C -1.459534 1.551637 1.773287
C -3.752991 0.407353 -1.081909
C -2.430642 -0.612023 2.350321
C -1.610254 0.476751 2.686816
C -3.971951 -1.837731 0.830382
C -4.552727 -0.667923 -1.400337
C -4.671913 -1.783315 -0.489683
H 5.682091 2.054897 0.341711
H 6.454619 0.479531 0.590424
H 0.368743 -0.303122 -1.674306
H 3.646759 3.183787 0.007459
H 6.072015 -1.839243 0.909901
H 1.599965 -2.811536 -1.269056
H 1.461312 3.864039 -1.035609
H -0.930526 1.573339 -2.500125
H 6.278560 1.734353 2.773703
H 4.501378 1.842161 2.590866
H 5.277542 0.252078 2.843762
H 5.349711 -4.192400 0.452203
H 3.146921 -4.677764 -0.620965
H -0.826855 2.417608 1.996833
H -3.716847 1.277690 -1.743820
H -2.558611 -1.462106 3.027750
H -1.081990 0.499592 3.644736
H -5.121699 -0.685367 -2.335181


