%chk=000127416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127416

0 1
 S   -7.947500     -0.5496000     -0.1737000    
 O    1.993700     -0.8090000       2.737500    
 O    2.707900      -2.877800     -0.3222000    
 N   -1.734000      0.2689000      8.8399999E-02
 N    2.399600     -0.5584000     -5.1000002E-03
 C    1.054600     -0.6192000      0.5462000    
 C   0.5622000      0.8127000      0.8325000    
 C   0.1152000      -1.270700     -0.4873000    
 C  -0.9329000      0.8788000       1.156800    
 C   -1.365200      -1.136700     -0.1197000    
 C    1.111700      -1.449700       1.837800    
 C   -3.161000      0.3859000      0.3873000    
 C    3.032400      0.7439000     -0.1603000    
 C    3.121300      -1.717900     -0.3984000    
 C   -4.011700     -0.1202000     -0.7804000    
 C    4.535500      -1.463500     -0.9123000    
 C    2.848600       1.404100      -1.341400    
 C    3.768900       1.222700      0.8852000    
 C   -5.481300      1.1000000E-02 -0.5082000    
 C    5.249300      -2.740000      -1.330800    
 C    3.454300       2.651700      -1.490100    
 C    4.374400       2.470400      0.7363000    
 C   -6.106700       1.242100     -0.2027000    
 C   -6.347600      -1.046400     -0.5286000    
 C    4.217100       3.184800     -0.4513000    
 C   -7.459100       1.082000      4.3000001E-03
 H    1.105400       1.287300       1.658400    
 H   0.6716000       1.463100     -4.2800002E-02
 H   0.2741000     -0.8080000      -1.472000    
 H   0.3380000      -2.336100     -0.6152000    
 H   -1.133400      0.4004000       2.123500    
 H   -1.207600       1.935900       1.264100    
 H   -1.595300      -1.744400      0.7642000    
 H   -1.900600      -1.577100     -0.9648000    
 H   0.1343000      -1.505400       2.325600    
 H    1.441900      -2.482000       1.692200    
 H   -3.419100     -0.1589000       1.305800    
 H   -3.398600       1.441600      0.5698000    
 H   -3.823100      -1.176300     -0.9961000    
 H   -3.771000      0.4406000      -1.693000    
 H    2.895700      -1.077500       2.494700    
 H    5.127500     -0.9878000     -0.1243000    
 H    4.494400     -0.8024000      -1.783300    
 H    2.256800      0.9895000      -2.151000    
 H    3.914700      0.6740000       1.806900    
 H    6.255100      -2.511100      -1.696600    
 H    4.703300      -3.252200      -2.129900    
 H    5.342500      -3.433200     -0.4882000    
 H    3.332200       3.207600      -2.415100    
 H    4.971700       2.884100       1.543600    
 H   -5.611800       2.202800     -0.1394000    
 H   -6.135300      -2.086900     -0.7315000    
 H    4.689500       4.155800     -0.5675000    
 H   -8.184000       1.845200      0.2502000    


%chk=000127416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127416

0 1
S -8.200762 -0.235922 -0.119071
O 2.490698 -1.377577 2.570950
O 2.837877 -2.776146 0.025496
N -1.804673 0.037170 0.185822
N 2.469353 -0.475263 -0.061581
C 1.091340 -0.619596 0.571881
C 0.488935 0.786707 0.853022
C 0.165863 -1.340446 -0.452932
C -1.005686 0.719694 1.232235
C -1.310550 -1.348059 -0.012799
C 1.183333 -1.448461 1.915707
C -3.259721 0.112441 0.460276
C 3.074741 0.840283 -0.199515
C 3.233609 -1.611554 -0.324845
C -4.121866 -0.224771 -0.785215
C 4.573049 -1.412476 -1.049186
C 3.012715 1.536370 -1.429179
C 3.733362 1.418365 0.913190
C -5.594168 0.054217 -0.551651
C 5.286304 -2.746359 -1.332018
C 3.616418 2.808670 -1.549963
C 4.334272 2.691004 0.788527
C -6.149300 1.391742 -0.438419
C -6.566086 -0.924426 -0.403026
C 4.279036 3.387637 -0.442154
C -7.513120 1.420465 -0.210541
H 1.044063 1.287961 1.667597
H 0.577278 1.415905 -0.050480
H 0.232240 -0.802693 -1.417569
H 0.521941 -2.373784 -0.605150
H -1.132998 0.223527 2.230043
H -1.384008 1.753122 1.343339
H -1.438433 -1.960191 0.919079
H -1.909931 -1.836628 -0.800896
H 0.480603 -1.028454 2.654308
H 0.912257 -2.500856 1.714742
H -3.567159 -0.552965 1.307461
H -3.488033 1.149369 0.772788
H -3.988087 -1.285719 -1.064010
H -3.741841 0.383442 -1.628404
H 3.065651 -2.047549 2.116767
H 5.218870 -0.749441 -0.440361
H 4.395995 -0.859164 -1.991338
H 2.491153 1.081107 -2.278604
H 3.751919 0.861363 1.857492
H 6.245153 -2.562584 -1.849588
H 4.663561 -3.403119 -1.962630
H 5.489185 -3.294501 -0.396544
H 3.567275 3.346425 -2.503271
H 4.843158 3.138028 1.649835
H -5.545960 2.298812 -0.538765
H -6.450805 -2.007043 -0.440847
H 4.746173 4.374231 -0.536494
H -8.175590 2.276188 -0.095408


