%chk=000019122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019122

0 1
 S   -1.117700       1.713500     -0.9382000    
 O  -0.7368000       1.571400      -2.339500    
 O   -2.000300       2.812500     -0.5649000    
 O  -7.7399999E-02   3.794100       1.138400    
 O    3.746100      -2.483100     -0.3068000    
 N   0.3177000       1.762800      3.3399999E-02
 N    1.057900     -0.3714000      0.7241000    
 N   -3.730000      -3.326900      0.8295000    
 N    1.908000      -1.429900      0.6432000    
 C   -1.883700      0.2331000     -0.4190000    
 C    1.252000      0.6703000     -9.9699996E-02
 C   -2.123600     -0.7877000      -1.338800    
 C   -2.256900      7.1599998E-02  0.9152000    
 C   0.6492000       2.816300      0.9673000    
 C   -2.736600      -1.970200     -0.9243000    
 C   -2.870000      -1.111000       1.329600    
 C   -3.109800      -2.131800      0.4099000    
 C    2.259200      0.7426000      -1.027900    
 C    1.942800       2.703200       1.735800    
 C    3.124300     -0.3344000      -1.110200    
 C    2.913400      -1.399100     -0.2572000    
 C    3.472100      -3.545800      0.6003000    
 H   -1.844900     -0.6886000      -2.383700    
 H   -2.077900      0.8582000       1.643200    
 H   -2.918300      -2.758400      -1.650600    
 H   -3.156200      -1.224600       2.372100    
 H    2.384600       1.602200      -1.676800    
 H    1.959100       1.785500       2.328700    
 H    2.026000       3.549100       2.425500    
 H    2.796200       2.738300       1.054600    
 H    3.940300     -0.3352000      -1.824600    
 H   -3.903600      -4.067900      0.1635000    
 H   -3.999900      -3.444600       1.796900    
 H    2.483100      -3.976700      0.4118000    
 H    3.558700      -3.207300       1.638200    
 H    4.218600      -4.328700      0.4369000    


%chk=000019122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019122

0 1
S -0.891972 1.084299 -1.102675
O -0.228611 0.200555 -2.302918
O -1.379145 2.597681 -1.395233
O -0.832361 2.071750 1.675048
O 5.013626 -1.983532 -1.035634
N 0.701480 1.190979 0.178402
N 2.198543 -0.564467 0.730650
N -5.355106 -2.255444 1.220926
N 3.291269 -1.338391 0.442061
C -2.242480 0.061655 -0.340828
C 1.815822 0.413640 -0.166041
C -2.277707 -1.311086 -0.655061
C -3.194991 0.690136 0.484311
C 0.356431 1.713608 1.430755
C -3.324149 -2.085776 -0.130283
C -4.241438 -0.091227 0.995829
C -4.320847 -1.489229 0.703125
C 2.481135 0.616328 -1.417176
C 1.489054 1.879920 2.438262
C 3.568626 -0.200107 -1.724015
C 3.939264 -1.171159 -0.752116
C 5.386320 -2.992879 -0.014579
H -1.519170 -1.748132 -1.311585
H -3.106094 1.752816 0.721316
H -3.378489 -3.154370 -0.366873
H -4.998762 0.374469 1.636332
H 2.136949 1.396954 -2.097606
H 1.746845 0.897022 2.867213
H 1.139327 2.556972 3.231993
H 2.397521 2.289085 1.964159
H 4.128701 -0.113525 -2.657690
H -5.418549 -3.250503 1.024474
H -6.065877 -1.838999 1.816099
H 4.553873 -3.696289 0.152566
H 5.636524 -2.500841 0.939907
H 6.260137 -3.500513 -0.447218


