%chk=000093248.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093248

0 1
 S   -6.369600      -1.144400      0.7352000    
 S    6.755000      0.4558000     -0.2585000    
 O   -2.754000     -0.1289000      -2.703800    
 O   -2.772600       2.438000       1.133600    
 O    2.844900      -2.278800       1.528400    
 O    1.837700       1.544200      -1.029300    
 N   -4.394500     -0.5653000      -1.092600    
 N   -4.405100      0.7758000      0.9100000    
 N    4.593600     -0.9768000      0.6778000    
 N    4.076200      0.9843000     -0.6399000    
 C   -2.447600      0.8330000     -0.5684000    
 C   -3.213000      2.3700001E-02  -1.568500    
 C   -3.223700       1.445300      0.5558000    
 C   -5.006100     -0.2896000      0.1700000    
 C   -5.040500      -1.508600      -2.018900    
 C   -5.063000       1.270700       2.129600    
 C   -1.367000     -2.4800001E-02  9.4999997E-03
 C    2.282400     -0.3763000      0.2594000    
 C  -5.7999998E-02  0.2200000     -0.1490000    
 C    5.087600      0.1445000     -6.7100003E-02
 C    3.241800      -1.306900      0.8859000    
 C    2.685100      0.8049000     -0.5292000    
 C   0.9757000     -0.6165000      0.4148000    
 C    5.597400      -1.868300       1.283000    
 C    4.537700       2.146000      -1.418500    
 C   -4.527700      -2.923000      -1.808300    
 C   -4.556700      0.5399000       3.361600    
 C    5.982600      -2.988000      0.3310000    
 C    4.701200       3.370200     -0.5336000    
 H   -2.031100       1.679600      -1.132800    
 H   -6.129800      -1.475900      -1.930500    
 H   -4.824700      -1.210600      -3.051900    
 H   -4.852800       2.340300       2.248800    
 H   -6.151400       1.196500       2.057000    
 H   -1.682300     -0.8924000      0.5876000    
 H   5.0099999E-02   1.106100     -0.7391000    
 H    6.478200      -1.332100       1.644000    
 H    5.160000      -2.324500       2.180000    
 H    5.448300       1.940800      -1.986500    
 H    3.780200       2.377700      -2.177500    
 H   0.6296000      -1.474100      0.9870000    
 H   -3.447000      -2.976500      -1.978700    
 H   -4.716900      -3.285400     -0.7940000    
 H   -5.013300      -3.609100      -2.509300    
 H   -4.740900     -0.5368000       3.309400    
 H   -3.477600      0.6818000       3.484400    
 H   -5.051200      0.9251000       4.258900    
 H    5.107700      -3.588100      5.8499999E-02
 H    6.421800      -2.610700     -0.5968000    
 H    6.711500      -3.652700      0.8052000    
 H    3.753800       3.633100     -5.0900001E-02
 H    5.439000       3.214300      0.2584000    
 H    5.022800       4.228300      -1.132100    


%chk=000093248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093248

0 1
S -5.997595 -1.632528 0.984142
S 6.817041 0.235945 -0.115524
O -3.221471 0.151975 -2.868227
O -3.291571 2.657482 1.067702
O 2.602664 -2.097535 1.433164
O 2.180380 1.910181 -1.237573
N -4.486200 -0.626687 -1.056216
N -4.515372 0.660971 0.978621
N 4.482169 -0.921505 0.701695
N 4.264148 1.015179 -0.697131
C -2.677851 1.046585 -0.662137
C -3.484051 0.189151 -1.640804
C -3.520932 1.557130 0.507878
C -4.937315 -0.491596 0.277068
C -5.080142 -1.678763 -1.946015
C -5.131061 0.999764 2.304587
C -1.525489 0.221115 -0.113818
C 2.218065 -0.110100 0.106882
C -0.207698 0.539250 -0.327452
C 5.105926 0.103371 -0.033407
C 3.074616 -1.114011 0.787964
C 2.837197 1.000857 -0.644998
C 0.846651 -0.285225 0.222575
C 5.318249 -1.936872 1.418761
C 4.866074 2.137345 -1.487160
C -4.272016 -2.987796 -1.905835
C -4.330490 0.402927 3.475478
C 5.670455 -3.132713 0.515570
C 5.119584 3.382003 -0.617589
H -2.283607 1.915594 -1.211087
H -6.116108 -1.844633 -1.613299
H -5.079073 -1.253253 -2.962466
H -5.142452 2.100105 2.362315
H -6.163002 0.617426 2.297559
H -1.793685 -0.666709 0.479136
H 0.076108 1.418659 -0.913396
H 6.229353 -1.423684 1.762907
H 4.722340 -2.270386 2.282624
H 5.806751 1.762774 -1.919140
H 4.147832 2.369047 -2.288943
H 0.548168 -1.166994 0.809863
H -3.233071 -2.824395 -2.241268
H -4.266061 -3.415897 -0.889197
H -4.735442 -3.724521 -2.586015
H -4.313819 -0.698691 3.419617
H -3.295063 0.785755 3.484883
H -4.806932 0.691352 4.429365
H 4.757463 -3.646744 0.169741
H 6.260992 -2.805948 -0.357255
H 6.276203 -3.857956 1.087983
H 4.177306 3.758344 -0.184256
H 5.832469 3.156438 0.193828
H 5.553167 4.183218 -1.242599


