%chk=000011257.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011257

0 1
 S   -1.275800       1.744400     -0.3602000    
 O   -1.320500       2.119500      -1.766500    
 O   -1.489200       2.756900      0.6659000    
 O    4.795100      -1.201100      -1.378300    
 N    4.119200     -0.4534000      0.7534000    
 N   -5.267900      -2.606500      0.3408000    
 C   0.3366000       1.087400     -2.7100001E-02
 C   -2.447800      0.4668000     -0.1545000    
 C    1.066100      0.5417000      -1.065900    
 C   0.8272000       1.136200       1.263700    
 C   -3.035500      0.2536000       1.092600    
 C   -2.796600     -0.3410000      -1.237000    
 C    2.849800      6.3500002E-02  0.4916000    
 C    2.334800      2.4599999E-02 -0.8039000    
 C    2.096100      0.6193000       1.525500    
 C   -3.971600     -0.7673000       1.257300    
 C   -3.732900      -1.361800      -1.072200    
 C   -4.320400      -1.574900      0.1749000    
 C    4.973600      -1.032600     -0.1767000    
 C    6.259500      -1.475100      0.4767000    
 H   0.6770000      0.4971000      -2.078400    
 H   0.2533000       1.555400       2.084000    
 H   -2.774000      0.8669000       1.950300    
 H   -2.346700     -0.1998000      -2.215600    
 H    2.844900     -0.3870000      -1.662100    
 H    2.484600      0.6541000       2.540200    
 H   -4.421500     -0.9243000       2.234400    
 H   -3.995200      -1.985600      -1.922900    
 H    4.435900     -0.3945000       1.718700    
 H   -5.693100      -2.762700       1.245100    
 H   -5.519900      -3.193300     -0.4434000    
 H    6.772600     -0.6114000      0.9091000    
 H    6.912800      -1.938700     -0.2678000    
 H    6.045600      -2.205300       1.262600    


%chk=000011257-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011257

0 1
S -1.340425 1.813758 -0.292320
O -1.372769 2.279192 -1.864241
O -1.606262 2.837760 0.962920
O 4.942877 -1.240454 -1.367273
N 4.232824 -0.450298 0.728094
N -5.416275 -2.652718 0.266000
C 0.373442 1.067304 0.004986
C -2.571849 0.407534 -0.112540
C 1.086569 0.552912 -1.088139
C 0.901713 1.121639 1.304742
C -3.161081 0.186207 1.144600
C -2.923260 -0.332142 -1.255598
C 2.935231 0.050584 0.433064
C 2.380139 0.031326 -0.877307
C 2.192746 0.603555 1.515103
C -4.113130 -0.840845 1.270876
C -3.874562 -1.359321 -1.126498
C -4.477646 -1.634363 0.139598
C 5.158117 -1.050120 -0.135570
C 6.469766 -1.463682 0.527614
H 0.650744 0.585896 -2.092217
H 0.326403 1.583769 2.113422
H -2.896895 0.825937 1.993415
H -2.481317 -0.086273 -2.226960
H 2.966446 -0.378913 -1.700797
H 2.631163 0.635714 2.520579
H -4.586870 -1.028399 2.241515
H -4.163537 -1.947324 -2.005348
H 4.525651 -0.355320 1.703002
H -5.861774 -2.844631 1.158619
H -5.692789 -3.210502 -0.536825
H 7.303120 -0.942971 0.025244
H 6.622457 -2.545623 0.373362
H 6.517134 -1.248087 1.609177


