%chk=000047055.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047055

1 1
 O    2.474300     -0.6516000      0.7645000    
 O    2.984600      0.8308000     -0.9525000    
 N   -2.212500      0.4692000      0.2369000    
 N    4.492300      0.4403000      0.7670000    
 C   -1.900500       1.925300     -9.6299998E-02
 C   -2.503900      0.3031000       1.725700    
 C   -3.462100      6.0300000E-02 -0.5402000    
 C  -0.9986000     -0.3897000     -0.1261000    
 C   -1.579100       2.041300      -1.570200    
 C   -2.823700      -1.147800       2.012100    
 C   -4.623000      0.9304000     -0.1105000    
 C   0.1665000     -0.1021000      0.5021000    
 C   -1.191700      -1.364800      -1.046400    
 C    1.272500     -0.8846000      0.1701000    
 C  -8.5800000E-02  -2.147100      -1.378500    
 C    1.146300      -1.907000     -0.7702000    
 C    3.301000      0.2696000      9.2299998E-02
 C    5.543500       1.324500      0.3202000    
 H   -2.720600       2.576500      0.2130000    
 H   -1.040200       2.241900      0.5041000    
 H   -1.617600      0.6132000       2.290500    
 H   -3.296800      0.9864000       2.039300    
 H   -3.299600      0.1704000      -1.616400    
 H   -3.709400     -0.9882000     -0.3483000    
 H   -1.215500       3.059200      -1.759200    
 H  -0.7895000       1.376200      -1.926700    
 H   -2.457300       1.929800      -2.211500    
 H   -2.079900      -1.863200       1.654200    
 H   -2.863900      -1.279300       3.100600    
 H   -3.811600      -1.448500       1.652800    
 H   -5.499100      0.6149000     -0.6933000    
 H   -4.931100      0.8049000      0.9291000    
 H   -4.513700       1.991700     -0.3395000    
 H   0.2885000      0.6854000       1.236000    
 H   -2.110400      -1.607300      -1.560200    
 H  -0.1824000      -2.943200      -2.111200    
 H    2.003700      -2.520700      -1.033000    
 H    4.638300     -8.4500000E-02   1.623900    
 H    6.443200      0.7274000      0.1535000    
 H    5.735100       2.053400       1.111300    
 H    5.265300       1.841400     -0.6012000    


%chk=000047055-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047055

1 1
O 2.701739 -0.731899 -0.197984
O 2.461264 1.314352 1.029403
N -2.149268 0.479090 0.054294
N 4.543322 0.301700 0.606994
C -1.884505 1.905659 -0.524001
C -2.102961 0.597802 1.612084
C -3.546026 -0.019410 -0.394495
C -1.040022 -0.471561 -0.411497
C -1.927619 1.983982 -2.051711
C -2.378175 -0.712644 2.352514
C -4.721983 0.874938 0.013988
C 0.282014 -0.115450 -0.065695
C -1.321122 -1.642596 -1.142225
C 1.342727 -0.960823 -0.468909
C -0.239799 -2.471070 -1.533046
C 1.085816 -2.143178 -1.205166
C 3.189354 0.412699 0.547088
C 5.386621 1.292771 1.292429
H -2.635021 2.566299 -0.060381
H -0.893710 2.204391 -0.147576
H -1.097753 0.977273 1.852985
H -2.833303 1.378155 1.881410
H -3.501104 -0.114713 -1.490180
H -3.665129 -1.026631 0.033724
H -1.614959 3.000286 -2.349221
H -1.227677 1.273544 -2.522605
H -2.937563 1.823184 -2.465075
H -1.699241 -1.520204 2.031269
H -2.198206 -0.539590 3.428075
H -3.421542 -1.055642 2.251261
H -5.644460 0.394656 -0.358077
H -4.835118 0.976809 1.106159
H -4.682801 1.880353 -0.437229
H 0.537465 0.781912 0.500920
H -2.331841 -1.942170 -1.420896
H -0.444735 -3.383282 -2.101021
H 1.923407 -2.778738 -1.504185
H 4.972369 -0.506970 0.153442
H 6.095626 1.757306 0.585225
H 5.952648 0.821235 2.114527
H 4.736870 2.076074 1.711187


