%chk=000047219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047219

0 1
 O    2.860600      -1.088000     -5.3100001E-02
 O    3.357600       1.179800      7.3100001E-02
 N   -2.548000      0.2045000     -3.0000000E-03
 N    5.050300     -0.4046000     -6.8000001E-03
 C   -1.176300     -0.1227000     -1.5400000E-02
 C   -3.510600     -0.6419000     -0.6798000    
 C   -3.015000       1.383700      0.6986000    
 C  -0.4929000     -0.2175000      -1.227700    
 C  -0.5029000     -0.3520000       1.184400    
 C   0.8638000     -0.5417000      -1.240100    
 C   0.8537000     -0.6763000       1.172000    
 C    1.537000     -0.7713000     -4.0300000E-02
 C   -4.001700      -1.680300      0.2730000    
 C   -2.998600       2.546400     -0.2372000    
 C   -3.888600      -2.997000      6.4400002E-02
 C   -2.300300       3.667000     -2.1700000E-02
 C    3.735700      1.3700000E-02  1.1700000E-02
 C    6.176400      0.4983000      4.7800001E-02
 H   -3.087700      -1.095800      -1.584000    
 H   -4.369100     -4.8300002E-02  -1.018000    
 H   -2.420200       1.584900       1.597500    
 H   -4.044100       1.237300       1.049400    
 H  -0.9991000     -3.1800002E-02  -2.171500    
 H   -1.021800     -0.2935000       2.137700    
 H    1.390600     -0.6122000      -2.188000    
 H    1.371600     -0.8567000       2.110000    
 H   -4.497300      -1.343000       1.180100    
 H   -3.606100       2.482100      -1.136600    
 H   -4.274400      -3.703400      0.7912000    
 H   -3.412000      -3.391600     -0.8261000    
 H   -2.336300       4.482400     -0.7358000    
 H   -1.684000       3.790600      0.8619000    
 H    5.236400      -1.401100     -6.3100003E-02
 H    6.785700      0.2314000      0.9147000    
 H    5.850600       1.537800      0.1289000    
 H    6.765400      0.3640000     -0.8627000    


%chk=000047219-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047219

0 1
O 2.976150 -0.683974 -0.377675
O 3.938385 1.174239 0.774394
N -2.631633 0.216066 -0.000402
N 5.213943 -0.532406 -0.214876
C -1.235806 0.023840 -0.073466
C -3.561346 -0.669994 -0.725194
C -3.209662 1.292587 0.826418
C -0.676457 -1.112767 -0.736188
C -0.324888 0.955090 0.510386
C 0.716314 -1.293579 -0.809621
C 1.072313 0.773605 0.446767
C 1.591840 -0.357431 -0.220588
C -3.847459 -1.992750 -0.020472
C -3.199201 2.668206 0.167004
C -3.914734 -3.198936 -0.634872
C -2.868051 3.823305 0.793854
C 4.038934 0.100407 0.129782
C 6.522990 0.008503 0.153363
H -3.189096 -0.862998 -1.750209
H -4.516030 -0.120096 -0.843942
H -2.697308 1.342756 1.807331
H -4.260136 1.013475 1.042294
H -1.323299 -1.880145 -1.167280
H -0.697872 1.859596 0.996491
H 1.135699 -2.169766 -1.314045
H 1.743973 1.504646 0.898589
H -4.017895 -1.918810 1.064144
H -3.500558 2.683784 -0.891148
H -4.151445 -4.114328 -0.081765
H -3.736370 -3.307611 -1.713040
H -2.904398 4.789103 0.278377
H -2.548190 3.837927 1.844324
H 5.138378 -1.402297 -0.741823
H 7.081395 -0.693152 0.800745
H 6.357242 0.944706 0.709656
H 7.132676 0.232401 -0.741814


