%chk=000151317.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151317

0 1
 S  -1.4000000E-03 -1.9000000E-03   2.198500    
 O   0.1532000       1.247400       2.930600    
 O  -0.1151000      -1.258500       2.927500    
 O   -3.590800      -3.043400     -5.7000000E-02
 O    3.586200       3.044100     -5.3700000E-02
 O   -4.988700      -1.775300      -1.178100    
 O    4.983200       1.778300      -1.178500    
 N   -4.782900      0.7021000      -1.277400    
 N    4.777200     -0.6988000      -1.282600    
 N   -3.981100      -1.918000     -0.4467000    
 N    3.976200       1.919600     -0.4460000    
 C   -4.851500       1.830500      -2.214700    
 C   -5.729300       1.794500      -1.017200    
 C    4.845100      -1.825400      -2.222200    
 C    5.723900      -1.791800      -1.025400    
 C   -3.647400      0.5137000     -0.4499000    
 C    3.642500     -0.5121000     -0.4538000    
 C   -3.255200     -0.7620000     -4.4199999E-02
 C    3.250600      0.7627000     -4.5200001E-02
 C   -1.405000      0.1960000       1.179000    
 C    1.422800     -0.2007000       1.161800    
 C   -2.918500       1.630500     -4.1200001E-02
 C    2.913800      -1.629700     -4.6799999E-02
 C   -2.134000     -0.9208000      0.7704000    
 C    2.130000      0.9199000      0.7705000    
 C   -1.797300       1.471600      0.7733000    
 C    1.793300      -1.472500      0.7689000    
 H   -5.277200       1.549100      -3.168500    
 H   -4.009100       2.501500      -2.258800    
 H   -5.512000       2.425700     -0.1692000    
 H   -6.758700       1.489700      -1.141900    
 H    5.270000      -1.542100      -3.175900    
 H    4.002700      -2.496300      -2.267100    
 H    5.507200      -2.424800     -0.1785000    
 H    6.753200      -1.486800      -1.150300    
 H   -3.184300       2.647800     -0.3110000    
 H    3.179300      -2.646500     -0.3191000    
 H   -1.809000      -1.907400       1.090700    
 H    1.802400       1.903800       1.093400    
 H   -1.242700       2.355600       1.075400    
 H    1.236400      -2.354300       1.069900    


%chk=000151317-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151317

0 1
S 0.000725 -0.000809 2.145520
O 0.329978 1.407711 2.912684
O -0.327221 -1.410039 2.912011
O -3.839661 -2.750696 -0.202158
O 3.843123 2.750463 -0.197715
O -5.133368 -1.409346 -1.512025
O 5.131799 1.411191 -1.514748
N -4.783197 1.305661 -1.391059
N 4.778869 -1.303084 -1.400512
N -4.174583 -1.585801 -0.658244
N 4.175174 1.586522 -0.658312
C -5.637182 2.512189 -1.336690
C -6.236507 1.092854 -1.354015
C 5.632270 -2.510198 -1.350197
C 6.232346 -1.091157 -1.364950
C -3.731997 0.937589 -0.576439
C 3.729030 -0.936320 -0.583574
C -3.402903 -0.416862 -0.204456
C 3.402056 0.417438 -0.207344
C -1.464414 0.359720 1.011785
C 1.464025 -0.360151 1.008850
C -2.853417 1.976700 -0.114282
C 2.849716 -1.975694 -0.123370
C -2.275711 -0.694991 0.608140
C 2.276145 0.694695 0.607311
C -1.731737 1.703993 0.672226
C 1.729285 -1.703820 0.665215
H -5.672372 3.117646 -2.248211
H -5.675143 3.074195 -0.393912
H -6.673730 0.714538 -0.422843
H -6.683252 0.698282 -2.269980
H 5.665835 -3.113465 -2.263227
H 5.671272 -3.074514 -0.408836
H 6.671021 -0.715261 -0.433468
H 6.677996 -0.694584 -2.280587
H -3.087486 3.008070 -0.395876
H 3.082116 -3.006552 -0.408194
H -2.081110 -1.727978 0.913138
H 2.083062 1.727043 0.915456
H -1.086568 2.504105 1.050171
H 1.083717 -2.504284 1.041718


