%chk=000149564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149564

0 1
 S    5.562000     -0.2041000       1.306700    
 O    1.533900      0.7582000      -2.971700    
 O    6.790500      0.2733000       1.913700    
 O    4.644900      -1.038400       2.057500    
 N  -0.5627000      0.4065000      -1.127400    
 N   -4.140200     -0.1689000      0.9791000    
 N    4.741300       1.140000      0.6094000    
 N   -1.127000      -4.624000     -0.4979000    
 C   -1.775600      0.2110000     -0.4129000    
 C   -2.191900      -1.085600     -9.4300002E-02
 C   -2.542900       1.317400     -3.4899998E-02
 C   -3.397400      -1.231200      0.6126000    
 C   -3.734800       1.077800      0.6697000    
 C   0.7610000      0.5892000     -0.7060000    
 C   -1.440600      -2.215700     -0.4617000    
 C   -2.148700       2.631500     -0.3419000    
 C    1.795400      0.7637000      -1.633800    
 C   -3.817200      -2.519600      0.9328000    
 C   -1.882300      -3.492800     -0.1295000    
 C   -4.503100       2.175300       1.048900    
 C    1.060100      0.5988000      0.6617000    
 C    3.397600      0.9532000      0.1646000    
 C   -3.073200      -3.644700      0.5691000    
 C    3.108800      0.9449000      -1.200000    
 C    2.373200      0.7801000       1.095400    
 C   -2.934800       3.711300      4.8700001E-02
 C   -4.114300       3.482500      0.7455000    
 C    6.023800      -1.088700     -0.1659000    
 C    1.594100     -0.5010000      -3.637800    
 H  -0.7007000      0.4478000      -2.132800    
 H  -0.5077000      -2.119500      -1.012600    
 H   -1.234800       2.846000     -0.8896000    
 H   -4.747000      -2.664700       1.479900    
 H   -5.431700       2.022000       1.595700    
 H   0.2835000      0.4694000       1.411100    
 H    3.904700       1.079200      -1.928900    
 H   -3.437800      -4.632400      0.8395000    
 H    2.580400      0.7972000       2.162200    
 H   -2.628900       4.725200     -0.1904000    
 H   -4.735300       4.318200       1.054800    
 H    5.311700       1.721100     -1.9500000E-02
 H   -1.452000      -5.550600     -0.2558000    
 H  -0.2608000      -4.511100      -1.007400    
 H    6.617800     -0.4321000     -0.8042000    
 H    6.623200      -1.951000      0.1351000    
 H    5.123900      -1.430000     -0.6799000    
 H   0.8818000      -1.208000      -3.200900    
 H    2.607700     -0.9114000      -3.587400    
 H    1.331900     -0.3457000      -4.687800    


%chk=000149564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149564

0 1
S 4.327069 -2.456776 0.545188
O 1.370243 1.844053 -2.557598
O 4.478831 -3.705396 1.631375
O 2.685486 -2.162756 0.146061
N -0.478387 1.196474 -0.794593
N -4.080284 -0.562705 0.751043
N 4.832412 0.474718 0.752848
N 0.625844 -3.558840 1.186306
C -1.627982 0.607699 -0.215090
C -1.609661 -0.714285 0.368547
C -2.867894 1.322325 -0.331051
C -2.899282 -1.223196 0.865224
C -4.080530 0.679363 0.149741
C 0.825633 1.160088 -0.347750
C -0.474390 -1.556829 0.438904
C -2.970837 2.648586 -0.872926
C 1.874973 1.428014 -1.316717
C -2.930801 -2.535232 1.476224
C -0.526425 -2.830514 1.064102
C -5.336364 1.356351 0.019979
C 1.191194 0.849302 0.998741
C 3.585012 0.779036 0.339828
C -1.795272 -3.314697 1.582879
C 3.208654 1.232615 -0.996715
C 2.520382 0.637799 1.327345
C -4.211975 3.280854 -0.989032
C -5.408295 2.628949 -0.549244
C 4.881658 -3.288900 -1.115624
C 2.331671 2.108582 -3.632799
H -0.601691 1.651199 -1.708537
H 0.499042 -1.254439 0.049821
H -2.065782 3.192961 -1.166366
H -3.903453 -2.879257 1.840837
H -6.224034 0.834335 0.390200
H 0.404612 0.723697 1.746214
H 4.000207 1.386637 -1.737896
H -1.837461 -4.303654 2.054850
H 2.824226 0.356499 2.339177
H -4.269397 4.293499 -1.403370
H -6.372365 3.139471 -0.644329
H 5.530639 0.579300 -0.019169
H 0.623543 -4.474084 1.635399
H 1.536466 -3.135884 0.846571
H 5.941338 -3.561288 -1.003884
H 4.237929 -4.173871 -1.218002
H 4.711741 -2.562201 -1.922967
H 2.899725 1.192620 -3.881255
H 3.027787 2.919254 -3.346121
H 1.726047 2.420125 -4.495568


