%chk=000148484.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148484

0 1
 S    6.732400      0.3785000      0.1828000    
 O   -5.035000     -5.7999999E-03 -0.4311000    
 O   -3.224500       1.390800     -0.4731000    
 N    1.702700      0.5592000     -0.1128000    
 N    2.512700      -1.493900      0.1487000    
 N   -2.992100     -0.9287000     -0.2173000    
 N    1.678600       1.968200     -0.2630000    
 N    4.484600       1.629500     -7.2400004E-02
 C   0.6075000     -0.2657000     -8.6099997E-02
 C    1.139300      -1.541700      7.8000002E-02
 C    2.816300     -0.2207000      3.1099999E-02
 C  -0.7609000     -1.2900000E-02 -0.1882000    
 C   -1.612500      -1.120300     -0.1182000    
 C   0.2692000      -2.642800      0.1463000    
 C   -1.108700      -2.412800      4.6100002E-02
 C    4.205600      0.2848000      5.3900000E-02
 C   -5.900600       1.024200      6.0100000E-02
 C   -3.693000      0.2626000     -0.3823000    
 C   -7.346900      0.5796000     -9.6199997E-02
 C   -5.552600       1.321200       1.510800    
 C    5.290700     -0.5500000      0.2016000    
 C    5.787400       1.796700     -1.8600000E-02
 H   -1.083600       1.008400     -0.3141000    
 H   0.6509000      -3.650700      0.2738000    
 H   -1.784000      -3.264400      9.8300003E-02
 H   -5.757000       1.925500     -0.5489000    
 H   -3.562400      -1.769100     -0.1610000    
 H    1.151900       2.424400      0.4808000    
 H    1.241500       2.253400      -1.138400    
 H   -7.535000     -0.3414000      0.4664000    
 H   -7.565400      0.3563000      -1.146000    
 H   -8.041800       1.350900      0.2493000    
 H   -5.561300      0.4038000       2.110100    
 H   -4.557500       1.761900       1.621000    
 H   -6.268800       2.025200       1.947100    
 H    5.320500      -1.624800      0.3167000    
 H    6.245500       2.773100     -9.6500002E-02


%chk=000148484-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148484

0 1
S 6.924098 0.414625 -0.162595
O -5.093454 -0.128934 0.142478
O -3.301202 1.400830 -0.035604
N 1.790347 0.556265 -0.087611
N 2.605824 -1.588903 -0.015261
N -2.990350 -0.944422 0.128195
N 1.719078 1.973532 -0.141210
N 4.565847 1.612132 0.076879
C 0.670046 -0.276432 -0.012649
C 1.201598 -1.611858 0.010051
C 2.934324 -0.276425 -0.084034
C -0.703609 0.027041 0.022890
C -1.575702 -1.084503 0.078390
C 0.303549 -2.704310 0.066856
C -1.071882 -2.430379 0.096680
C 4.300848 0.230477 -0.095267
C -6.071636 1.013817 0.143404
C -3.732225 0.223819 0.070897
C -7.377349 0.424810 -0.395184
C -6.180645 1.579922 1.566590
C 5.433379 -0.566033 -0.239670
C 5.859319 1.871698 0.064321
H -1.083123 1.049687 0.024070
H 0.679660 -3.731188 0.085565
H -1.786245 -3.262202 0.135924
H -5.666395 1.784935 -0.538241
H -3.543746 -1.800009 0.207069
H 2.635039 2.354853 0.149566
H 1.449972 2.282793 -1.087300
H -7.745752 -0.378521 0.267078
H -7.232222 0.006496 -1.405783
H -8.150037 1.212825 -0.449469
H -6.518917 0.798450 2.270160
H -5.207230 1.973096 1.904645
H -6.912479 2.408345 1.588247
H 5.464493 -1.643904 -0.373500
H 6.300484 2.860074 0.182123


