%chk=000149565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149565

0 1
 S   -5.724300       1.013500       1.333400    
 O    4.981300       2.498100      0.4881000    
 O   -2.101700      -1.364200      -2.747800    
 O   -6.941900      0.8236000       2.099600    
 O   -4.691600       1.916000       1.802500    
 N   0.1421000     -0.7683000      -1.157400    
 N    3.894800     -2.9300001E-02  0.5568000    
 N   -5.067100     -0.5349000      0.9634000    
 C    1.414500     -0.5177000     -0.5759000    
 C    1.953900      0.7719000     -0.6179000    
 C    2.116400      -1.563000      3.3000000E-02
 C    3.214500      0.9738000     -3.0999999E-02
 C    3.370600      -1.269700      0.5945000    
 C   -1.158700     -0.7139000     -0.6396000    
 C    1.270600       1.840900      -1.223400    
 C    3.757000       2.255600     -6.9499999E-02
 C    1.598400      -2.868600      8.9400001E-02
 C   -2.267400      -1.013200      -1.441100    
 C    4.074400      -2.306100       1.202100    
 C   -1.359300     -0.3549000      0.6989000    
 C   -3.747300     -0.5958000      0.4224000    
 C    1.834800       3.112900      -1.248600    
 C    3.080600       3.320200     -0.6702000    
 C   -3.556500     -0.9545000     -0.9120000    
 C    2.322000      -3.886900      0.7026000    
 C   -2.648600     -0.2961000       1.227800    
 C    3.562500      -3.604800       1.260000    
 C   -6.215000       1.543100     -0.2923000    
 C    4.999000       2.881900       1.859400    
 C   -2.107900     -0.3095000      -3.707100    
 H   0.2046000      -1.071900      -2.124700    
 H   0.2969000       1.712900      -1.688900    
 H   0.6337000      -3.124900     -0.3406000    
 H    5.048800      -2.110200       1.646200    
 H  -0.5234000     -0.1184000       1.352200    
 H    1.305700       3.936500      -1.717800    
 H    3.524000       4.312100     -0.6897000    
 H   -4.410600      -1.188100      -1.543500    
 H   -2.780000     -2.7500000E-02   2.272700    
 H    1.920300      -4.894700      0.7439000    
 H    4.135600      -4.392300       1.740600    
 H   -5.725800      -1.196600      0.5312000    
 H   -6.903900      0.8085000     -0.7134000    
 H   -6.719600       2.506900     -0.1929000    
 H   -5.328600       1.657000     -0.9184000    
 H    4.557400       2.101300       2.487000    
 H    4.461900       3.825200       2.001100    
 H    6.039900       3.024900       2.162100    
 H   -1.311500      0.4119000      -3.499100    
 H   -3.078900      0.1960000      -3.712400    
 H   -1.935300     -0.7445000      -4.695300    


%chk=000149565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149565

0 1
S -5.937426 1.864964 0.671401
O 4.468049 3.054787 1.288935
O -1.870209 -1.845740 -2.383589
O -7.568100 1.796589 0.659938
O -5.132453 2.762110 1.765423
N 0.085890 -0.874843 -0.931261
N 3.929848 0.260237 0.603171
N -5.226124 -0.100259 0.875100
C 1.331753 -0.468137 -0.390535
C 1.636649 0.908875 -0.129580
C 2.334052 -1.469410 -0.189609
C 2.961412 1.209616 0.427472
C 3.643518 -1.038954 0.281089
C -1.205114 -0.613845 -0.460032
C 0.746120 1.982160 -0.461956
C 3.272817 2.599803 0.742145
C 2.109593 -2.873382 -0.412584
C -2.293206 -1.139151 -1.240384
C 4.683872 -2.019389 0.443166
C -1.510076 0.065255 0.751185
C -3.919017 -0.274462 0.380852
C 1.112473 3.301155 -0.197342
C 2.357612 3.610407 0.421435
C -3.624566 -0.946207 -0.852003
C 3.138251 -3.796480 -0.236877
C -2.839985 0.227006 1.168343
C 4.443064 -3.364755 0.181418
C -5.370085 2.527062 -1.058399
C 5.350019 2.206896 2.115122
C -2.897256 -2.453864 -3.232105
H 0.111008 -1.555070 -1.698170
H -0.212644 1.764745 -0.937346
H 1.111577 -3.226053 -0.695447
H 5.660613 -1.661554 0.783145
H -0.696103 0.445959 1.373056
H 0.433359 4.119431 -0.459238
H 2.632776 4.643836 0.651242
H -4.447946 -1.329831 -1.464921
H -3.076814 0.728531 2.110818
H 2.950918 -4.862741 -0.404080
H 5.241519 -4.103632 0.309164
H -5.948716 -0.596359 0.312234
H -5.925006 1.956200 -1.815219
H -5.644857 3.591067 -1.051775
H -4.283420 2.377818 -1.113408
H 5.938913 1.524672 1.485438
H 4.766122 1.611439 2.838119
H 5.994639 2.929852 2.640856
H -3.560063 -1.680559 -3.665018
H -3.498351 -3.188167 -2.662509
H -2.347603 -2.963431 -4.036482


