%chk=000149247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149247

0 1
 S   -6.892400      0.1865000     -0.6444000    
 O   -7.412600       1.712300     -0.3964000    
 O   -7.545100     -0.6905000      0.3102000    
 O   -6.917800     -8.8900000E-02  -2.069300    
 N    1.038600     -0.2232000       1.371100    
 N    4.503300      0.4065000     -0.9020000    
 C    2.213600     -9.7000003E-03  0.6003000    
 C    2.951400      -1.106200      0.1429000    
 C    2.621600       1.295100      0.3056000    
 C   -4.426400     -0.8779000     -7.7600002E-02
 C   -2.994300     -0.7071000      0.3019000    
 C  -0.3067000     -0.3844000       1.014500    
 C    4.105800     -0.8483000     -0.6155000    
 C    3.789000       1.459100     -0.4592000    
 C   -5.217000      0.4315000     -0.1432000    
 C   -2.030200     -0.5067000     -0.6859000    
 C   -2.619200     -0.7467000       1.644900    
 C  -0.6909000     -0.3461000     -0.3308000    
 C   -1.279900     -0.5859000       2.000100    
 C    2.564500      -2.428200      0.4240000    
 C    1.899300       2.415400      0.7521000    
 C    4.844700      -1.935800      -1.073700    
 C    4.200400       2.755700     -0.7558000    
 C    3.320500      -3.497900     -4.5899998E-02
 C    2.331900       3.701100      0.4419000    
 C    4.463000      -3.250800     -0.7963000    
 C    3.484900       3.871300     -0.3137000    
 H   -4.486600      -1.390200      -1.047300    
 H   -4.910500      -1.565400      0.6287000    
 H    1.225900     -0.2626000       2.368800    
 H   -4.760500       1.130400     -0.8522000    
 H   -5.236600      0.9057000      0.8443000    
 H   -2.310200     -0.4717000      -1.735400    
 H   -3.361400     -0.8999000       2.423900    
 H   3.8400002E-02 -0.1911000      -1.121700    
 H   -1.002800     -0.6187000       3.051000    
 H    1.679500      -2.657000       1.012000    
 H   0.9962000       2.318400       1.349000    
 H    5.744100      -1.768200      -1.663700    
 H    5.100800       2.915400      -1.346400    
 H    3.020200      -4.517900      0.1734000    
 H    1.773100       4.564800      0.7889000    
 H    5.060400      -4.078300      -1.167500    
 H    3.831500       4.870400     -0.5611000    
 H   -7.500700       1.982600      0.5478000    


%chk=000149247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149247

0 1
S -6.977962 0.957359 -0.221179
O -7.088718 2.718813 0.401536
O -7.835455 -0.025741 0.738314
O -7.236594 0.921164 -1.819449
N 1.035434 -0.878811 1.197430
N 4.590207 0.483229 -0.824131
C 2.174604 -0.410578 0.496753
C 3.258970 -1.319471 0.264373
C 2.311266 0.954883 0.084867
C -4.587874 -0.586552 -0.194062
C -3.107178 -0.671596 0.155634
C -0.326943 -0.768680 0.831720
C 4.464842 -0.806114 -0.377482
C 3.539257 1.337132 -0.609719
C -5.092350 0.816710 0.175982
C -2.111083 -0.289367 -0.779649
C -2.684582 -1.103923 1.439156
C -0.741272 -0.340288 -0.460312
C -1.319443 -1.151119 1.777854
C 3.207978 -2.715030 0.612438
C 1.339241 1.977224 0.369006
C 5.579263 -1.694654 -0.578515
C 3.688620 2.695504 -1.064267
C 4.303892 -3.547681 0.394944
C 1.530929 3.286128 -0.065339
C 5.507754 -3.029461 -0.193052
C 2.707500 3.646827 -0.807727
H -4.746946 -0.764760 -1.273070
H -5.165782 -1.346251 0.362989
H 1.228060 -1.527155 1.963839
H -4.651478 1.629304 -0.421393
H -5.050801 1.042122 1.252609
H -2.409168 0.033128 -1.785000
H -3.431225 -1.413291 2.180935
H 0.005002 -0.067316 -1.211636
H -1.016009 -1.483723 2.778291
H 2.284842 -3.142600 1.020454
H 0.443911 1.722524 0.942184
H 6.471388 -1.271550 -1.050056
H 4.611254 2.938821 -1.599801
H 4.245094 -4.609453 0.657929
H 0.783219 4.052266 0.166913
H 6.361756 -3.696750 -0.351924
H 2.834454 4.678674 -1.152870
H -8.027069 3.037004 0.266783


