%chk=000004515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004515

0 1
 O  -0.1716000      -1.116100      -1.543800    
 O    3.375500      -1.544000       2.822300    
 O    3.693900      0.7015000       3.116100    
 N    2.634000     -0.8687000      -1.254000    
 N   -1.437800      -1.427900      -1.031600    
 C    3.913700     -0.4708000      -1.855500    
 C    2.817100      -1.248800      0.1600000    
 C    4.479400      0.7700000      -1.147300    
 C    2.018200      -1.960800      -2.005300    
 C    3.622300     -0.2475000      0.9379000    
 C    4.374500      0.6918000      0.3483000    
 C   0.6383000      -2.280900      -1.453200    
 C    3.573100     -0.2771000       2.400500    
 C   -2.018800     -0.3929000     -0.4965000    
 C   -1.296000      0.9179000     -0.5098000    
 C   -3.366700     -0.4466000      0.1196000    
 C  -0.4811000       1.226700      0.5526000    
 C   -3.903200      0.7073000      0.6556000    
 C   -1.478000       1.755300      -1.583800    
 C   -4.045800      -1.648500      0.1387000    
 C   0.1927000       2.448100      0.5403000    
 C   -5.171000      0.6571000       1.234900    
 C  -0.8040000       2.976400      -1.596000    
 C   -5.313800      -1.698600      0.7180000    
 C   3.1300001E-02   3.322800     -0.5340000    
 C   -5.876300     -0.5458000       1.266000    
 H    4.639300      -1.293800      -1.803000    
 H    3.780200     -0.2252000      -2.916100    
 H    1.837200      -1.308000      0.6462000    
 H    3.302800      -2.230400      0.2392000    
 H    5.530600      0.8937000      -1.431200    
 H    3.943600       1.666400      -1.482800    
 H    2.643700      -2.861900      -1.997300    
 H    1.900700      -1.647300      -3.050400    
 H    4.934100       1.421600      0.9256000    
 H   0.1885000      -3.063600      -2.077400    
 H   0.6594000      -2.663600     -0.4272000    
 H    3.336100      -1.604900       3.800500    
 H  -0.3503000      0.5472000       1.389100    
 H   -3.398600       1.666800      0.6578000    
 H   -2.126500       1.488800      -2.412600    
 H   -3.628100      -2.558400     -0.2814000    
 H   0.8451000       2.716200       1.366200    
 H   -5.609800       1.554300       1.661900    
 H  -0.9293000       3.657400      -2.432800    
 H   -5.863300      -2.635100      0.7425000    
 H   0.5570000       4.273100     -0.5441000    
 H   -6.863600     -0.5849000       1.717000    


%chk=000004515-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004515

0 1
O -0.054547 -0.879339 -1.159941
O 4.147255 -2.823809 2.828310
O 5.471596 -1.017446 3.446547
N 2.920002 -1.039536 -0.770289
N -1.354679 -1.114922 -0.551106
C 3.987865 -0.260123 -1.436056
C 3.422874 -1.832631 0.372237
C 4.548968 0.797049 -0.462902
C 2.091145 -1.836436 -1.698769
C 4.345632 -1.021654 1.263181
C 4.838634 0.194621 0.887737
C 0.691961 -2.153566 -1.160799
C 4.727256 -1.559819 2.592137
C -2.085406 -0.007750 -0.459393
C -1.661768 1.370349 -0.859829
C -3.450291 -0.236127 0.109899
C -0.354532 1.863999 -0.589521
C -4.104108 0.778273 0.862641
C -2.588139 2.222038 -1.524285
C -4.104535 -1.488670 -0.059438
C 0.001070 3.179007 -0.956375
C -5.375595 0.545549 1.430378
C -2.221166 3.529410 -1.909671
C -5.374034 -1.717850 0.508465
C -0.925599 4.016355 -1.620991
C -6.017323 -0.702025 1.255766
H 4.827226 -0.912059 -1.791550
H 3.556764 0.237109 -2.322888
H 2.570356 -2.190498 0.975965
H 3.964893 -2.754826 0.031898
H 5.469257 1.253745 -0.878811
H 3.814927 1.620651 -0.345102
H 2.580573 -2.807693 -1.971462
H 1.968376 -1.261923 -2.635351
H 5.478802 0.740918 1.592994
H 0.179250 -2.876954 -1.825128
H 0.709003 -2.567477 -0.136188
H 4.431128 -3.138981 3.728202
H 0.377241 1.215073 -0.101482
H -3.609004 1.742929 1.015223
H -3.595251 1.852568 -1.746237
H -3.602975 -2.268948 -0.639833
H 1.006853 3.550100 -0.728202
H -5.861859 1.335957 2.013088
H -2.945312 4.166104 -2.430091
H -5.866829 -2.686093 0.364578
H -0.641252 5.034198 -1.911175
H -7.006002 -0.880546 1.693322


