%chk=000146191.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146191

0 1
 S   -3.612800      0.6023000     -0.1577000    
 O  -4.5299999E-02  -1.999300     -0.3118000    
 O   -3.066500       3.830700       1.137800    
 O   -3.210700       3.980000      -1.125600    
 N    5.316000     -0.2768000     -8.8900000E-02
 N    1.624600     -0.1488000     -0.1382000    
 C    3.950000     -0.7853000     -7.9999998E-02
 C    2.954800      0.3671000     -0.1201000    
 C   0.4803000      0.6864000     -0.1484000    
 C  -0.8371000      0.1948000     -0.1464000    
 C    6.277600      -1.380900     -8.9599997E-02
 C    5.548600      0.5975000       1.062300    
 C   -1.909400       1.090300     -0.1376000    
 C   -1.024900      -1.275200     -0.1549000    
 C   0.7283000       2.058200     -0.1394000    
 C   -2.356300      -1.899000      3.1099999E-02
 C   -1.643900       2.470500     -0.1303000    
 C   -3.539100      -1.155500      5.2600000E-02
 C    6.054800      -2.302300      -1.276900    
 C    6.948200       1.187500       1.029600    
 C  -0.3347000       2.951500     -0.1301000    
 C   -2.408700      -3.295200      0.1895000    
 C   -4.761300      -1.825700      0.2335000    
 C   -2.698100       3.483600     -0.1227000    
 C   -3.628300      -3.945900      0.3699000    
 C   -4.806100      -3.210600      0.3922000    
 H    3.762100      -1.418100      0.7984000    
 H    3.746400      -1.396500     -0.9664000    
 H    3.149400      0.9825000      -1.007400    
 H    3.043600      0.9807000      0.7796000    
 H    7.299100      -1.002000     -0.1974000    
 H    6.235100      -1.962100      0.8401000    
 H    4.896100       1.473800       1.038300    
 H    5.381700      8.0100000E-02   2.015200    
 H    1.487500      -1.150800     -0.1374000    
 H    1.722100       2.493500     -0.1411000    
 H    5.183700      -2.951900      -1.146100    
 H    5.948500      -1.743400      -2.213000    
 H    6.919900      -2.965400      -1.391700    
 H    7.716100      0.4589000       1.307200    
 H    7.191200       1.604100      4.5899998E-02
 H    7.019600       2.005100       1.756100    
 H  -0.1331000       4.019800     -0.1242000    
 H   -1.504500      -3.899000      0.1795000    
 H   -5.700400      -1.275400      0.2520000    
 H   -3.656500      -5.024500      0.4926000    
 H   -5.759500      -3.711500      0.5313000    
 H   -3.774300       4.509900       1.138100    


%chk=000146191-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146191

0 1
S -3.728542 0.531011 -0.024907
O -0.000535 -2.073727 0.396533
O -2.411810 4.746475 -0.696062
O -4.102771 3.183060 -0.446657
N 5.326139 -0.440659 0.161659
N 1.567694 -0.121363 0.076261
C 3.913303 -0.882629 0.114601
C 2.962667 0.327942 -0.004253
C 0.481548 0.696915 -0.050768
C -0.882971 0.149249 0.037335
C 6.259606 -1.377557 -0.522008
C 5.765965 -0.076560 1.538142
C -1.984686 1.062137 -0.108368
C -1.039128 -1.301345 0.269750
C 0.666908 2.098909 -0.271692
C -2.368475 -1.952075 0.371292
C -1.765285 2.461730 -0.330976
C -3.594241 -1.254571 0.258281
C 6.172930 -1.293577 -2.057541
C 6.921850 0.941494 1.552308
C -0.424971 2.941995 -0.405789
C -2.407685 -3.360623 0.595202
C -4.833277 -1.939133 0.364848
C -2.864489 3.424536 -0.484966
C -3.627353 -4.043526 0.701727
C -4.849025 -3.327084 0.585550
H 3.631616 -1.490043 1.010298
H 3.764953 -1.532804 -0.766387
H 3.163820 0.840275 -0.965805
H 3.183799 1.057213 0.802813
H 7.286307 -1.110401 -0.213507
H 6.094558 -2.433403 -0.188928
H 4.899600 0.368681 2.062564
H 6.052902 -0.986016 2.124355
H 1.316378 -1.125999 0.243194
H 1.678517 2.504935 -0.334595
H 5.166276 -1.557848 -2.429926
H 6.401951 -0.267987 -2.395300
H 6.893644 -1.990975 -2.523884
H 7.827464 0.545701 1.058200
H 6.623476 1.863664 1.023971
H 7.195388 1.199993 2.592298
H -0.280125 4.011775 -0.574717
H -1.447621 -3.877980 0.679061
H -5.772342 -1.381783 0.274334
H -3.639674 -5.124718 0.873695
H -5.806859 -3.852148 0.667379
H -3.213594 5.326543 -0.789115


