%chk=000031765.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031765

0 1
 S    1.322800      -3.722200     -9.7599998E-02
 S    4.058700       1.966900      0.1555000    
 O    3.046500       2.957600      0.4924000    
 O    5.263500       1.859600      0.9668000    
 N   -2.325500       3.410400      0.2901000    
 N  -0.1466000      -1.015200     -0.5178000    
 C   -1.974400       2.341000     -0.6640000    
 C   -3.229500       1.916200      -1.450200    
 C   -1.270700       1.120600     -5.0200000E-02
 C   -4.383500       1.514800     -0.5364000    
 C   -3.391100       3.031000       1.224500    
 C   -4.660400       2.614100      0.4814000    
 C  -0.7964000      0.1511000      -1.129900    
 C   -1.168800       3.946200       1.002300    
 C    1.244300     -0.9258000     -0.2573000    
 C  -0.9715000      -2.115300     -0.1718000    
 C    2.015400      -2.082100     -2.6300000E-02
 C  -0.4198000      -3.389400      6.7500003E-02
 C    1.912400      0.3159000     -0.1811000    
 C   -2.368700      -1.982400     -1.5600000E-02
 C    3.280900      0.4048000      8.9000002E-02
 C    3.393100      -1.987200      0.2400000    
 C    4.022500     -0.7482000      0.2967000    
 C   -1.241600      -4.475300      0.4181000    
 C   -3.180100      -3.063800      0.3380000    
 C   -2.616400      -4.312400      0.5521000    
 C    4.584900       2.269400      -1.516200    
 H   -1.286500       2.782700      -1.398500    
 H   -3.039500       1.129100      -2.182400    
 H   -3.559800       2.777800      -2.048800    
 H   -1.925800      0.6264000      0.6724000    
 H  -0.4231000       1.452700      0.5526000    
 H   -4.166800      0.5852000     -7.7000000E-03
 H   -5.283000       1.333600      -1.135500    
 H   -3.643300       3.885900       1.864200    
 H   -3.066800       2.222100       1.890700    
 H   -5.083800       3.486300     -3.3300001E-02
 H   -5.415000       2.273000       1.199200    
 H  -0.1199000      0.6572000      -1.831800    
 H   -1.606200     -0.1971000      -1.777000    
 H  -0.3650000       4.207900      0.3054000    
 H  -0.7707000       3.254300       1.752000    
 H   -1.443900       4.872300       1.519800    
 H    1.391200       1.246700     -0.3708000    
 H   -2.880200      -1.048800     -0.1932000    
 H    3.991800      -2.880800      0.4051000    
 H    5.088700     -0.7087000      0.4986000    
 H  -0.8176000      -5.462500      0.5913000    
 H   -4.252900      -2.926200      0.4379000    
 H   -3.242700      -5.156600      0.8233000    
 H    3.709000       2.278100      -2.167800    
 H    5.079600       3.242600      -1.544900    
 H    5.284500       1.486900      -1.816000    


%chk=000031765-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031765

0 1
S 1.503790 -3.882577 -0.430828
S 3.586521 2.223951 0.027488
O 2.246096 3.154759 0.220154
O 4.861462 2.303683 1.047597
N -1.996444 3.323421 0.526060
N -0.277868 -1.309369 -0.563426
C -1.750394 2.286723 -0.506392
C -2.863324 2.372474 -1.585223
C -1.574758 0.833885 0.059350
C -4.278477 2.269391 -0.969443
C -3.327000 3.257327 1.169737
C -4.456992 3.347968 0.122685
C -1.096541 -0.160539 -1.037128
C -0.888393 3.528526 1.479306
C 1.101483 -1.082658 -0.329141
C -0.947029 -2.488067 -0.106960
C 2.029955 -2.155955 -0.149929
C -0.255698 -3.719474 0.068104
C 1.625014 0.240115 -0.281080
C -2.338902 -2.474062 0.185990
C 2.993337 0.428097 -0.050448
C 3.389081 -1.919999 0.140030
C 3.906962 -0.604057 0.191527
C -0.913076 -4.872101 0.538586
C -3.008235 -3.639274 0.617932
C -2.301025 -4.844756 0.805105
C 4.255654 2.600641 -1.726027
H -0.787248 2.559518 -0.991090
H -2.713279 1.590812 -2.355049
H -2.765830 3.351745 -2.091547
H -2.518846 0.483046 0.513163
H -0.831964 0.860457 0.878024
H -4.434348 1.263945 -0.526249
H -5.044910 2.386901 -1.758953
H -3.401287 4.106722 1.875333
H -3.461717 2.325660 1.781070
H -4.425610 4.350554 -0.345881
H -5.437979 3.240240 0.624740
H -0.482943 0.383285 -1.780928
H -1.955187 -0.575615 -1.592015
H 0.077344 3.576384 0.944422
H -0.803046 2.730828 2.258763
H -1.034894 4.489392 2.006475
H 0.989592 1.123513 -0.372683
H -2.907694 -1.546942 0.092290
H 4.052581 -2.774644 0.307639
H 4.953415 -0.400859 0.435466
H -0.340590 -5.795470 0.677626
H -4.083217 -3.592581 0.822127
H -2.811771 -5.748196 1.152012
H 3.423887 2.448170 -2.427062
H 4.577252 3.650608 -1.683826
H 5.095390 1.914857 -1.902693


