%chk=000048755.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048755

0 1
 O  -0.1368000       1.711400      0.4048000    
 O   -3.286100      -1.520100     -5.2999999E-02
 O    1.104400      -2.756000     -0.2471000    
 N   0.6497000     -0.4484000     -6.3299999E-02
 N   -1.061300      -2.091800     -4.0199999E-02
 C   -1.664700      0.1790000     -0.6549000    
 C   -2.740900       1.211800     -0.2825000    
 C   -3.062200       1.230000       1.215900    
 C   -1.513500      0.1518000      -2.186300    
 C  -0.3184000      0.5809000     -5.1800001E-02
 C   -2.108500      -1.198600     -0.1968000    
 C   -3.538600     -0.1284000       1.732100    
 C   -1.821300       1.673100       1.994500    
 C   -1.039800       1.490000      -2.707800    
 C   0.3080000      -1.823000     -0.1142000    
 C    2.040400     -7.1599998E-02  7.5400002E-02
 C    2.467100       1.163800     -0.3965000    
 C    2.932700     -0.9489000      0.6791000    
 C    3.807200       1.527300     -0.2626000    
 C    4.272800     -0.5853000      0.8130000    
 C    4.709800      0.6529000      0.3422000    
 H   -2.447700       2.229600     -0.5657000    
 H   -3.669700      0.9994000     -0.8298000    
 H   -3.859000       1.965600       1.385300    
 H   -2.466300     -0.1124000      -2.662700    
 H  -0.7972000     -0.6184000      -2.498900    
 H   -2.768100     -0.8649000       1.974400    
 H   -4.461800     -0.4716000       1.254500    
 H   -3.914600      7.9099998E-02   2.749500    
 H   -1.076600      0.8959000       2.184400    
 H   -2.174300       1.872600       3.020100    
 H   -1.458800       2.662200       1.698300    
 H   -1.776100       2.285600      -2.567800    
 H  -8.5900001E-02   1.811200      -2.285800    
 H  -0.8845000       1.411700      -3.790500    
 H   -1.319900      -3.064000      0.1042000    
 H    1.816300       1.857000     -0.9176000    
 H    2.638900      -1.888400       1.133000    
 H    4.150400       2.486800     -0.6385000    
 H    4.973100      -1.258300       1.299300    
 H    5.752800      0.9366000      0.4480000    


%chk=000048755-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048755

0 1
O 0.172491 1.807954 -0.436325
O -3.193977 -1.656667 -0.960410
O 1.136396 -2.727203 0.246132
N 0.694802 -0.444816 -0.156887
N -1.025082 -2.097611 -0.309211
C -1.661274 0.258457 -0.857206
C -2.684127 1.172036 -0.096611
C -2.847284 1.047954 1.449753
C -1.789269 0.516613 -2.427901
C -0.221913 0.614811 -0.455047
C -2.043261 -1.216330 -0.701527
C -3.443388 -0.297176 1.934214
C -1.569679 1.395283 2.253280
C -1.644808 1.973671 -2.906407
C 0.330826 -1.812763 -0.053830
C 2.089419 -0.100016 0.116842
C 2.877959 0.454407 -0.913176
C 2.626145 -0.319201 1.402932
C 4.222084 0.795217 -0.649895
C 3.973395 0.017181 1.657573
C 4.772702 0.576078 0.633980
H -2.391096 2.213166 -0.321193
H -3.669251 0.986544 -0.566334
H -3.597506 1.832155 1.690816
H -2.782883 0.122444 -2.711764
H -1.036398 -0.116675 -2.940631
H -2.710463 -1.122363 1.861191
H -4.333938 -0.587824 1.349542
H -3.734744 -0.217707 2.998262
H -0.796240 0.609431 2.154210
H -1.810899 1.476142 3.329474
H -1.121769 2.348281 1.921652
H -2.473315 2.607823 -2.547348
H -0.698277 2.427821 -2.570263
H -1.668765 1.991859 -4.011768
H -1.273741 -3.090512 -0.240407
H 2.443185 0.626063 -1.902777
H 2.004481 -0.759300 2.188805
H 4.837020 1.229226 -1.445430
H 4.396294 -0.157559 2.652518
H 5.817149 0.838306 0.834873


