%chk=000048670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048670

1 1
 O    1.151700      0.9425000      0.7059000    
 O    2.446500       1.134400      -1.234800    
 N   -2.284400      0.6530000      6.0500000E-02
 N  -0.5162000      -1.959400     -0.7560000    
 C   -1.137100      0.3679000     -0.8980000    
 C   -1.725300       1.119300       1.396900    
 C   -3.175000       1.740000     -0.5239000    
 C   -3.100400     -0.6150000      0.2667000    
 C  -0.2049000     -0.6965000     -0.3988000    
 C   0.8855000     -0.3467000      0.3752000    
 C    1.718800      -1.369000      0.8156000    
 C   0.3164000      -2.926200     -0.3093000    
 C    1.435900      -2.686200      0.4712000    
 C    1.977200       1.615600     -0.2119000    
 C    2.211300       3.026300      0.2409000    
 H  -0.6228000       1.315100      -1.095700    
 H   -1.584600      5.0200000E-02  -1.849100    
 H   -1.084100       1.988500       1.228700    
 H   -2.573200       1.417900       2.023000    
 H   -1.204500      0.3003000       1.897400    
 H   -3.567500       1.387400      -1.482300    
 H   -3.994000       1.933800      0.1752000    
 H   -2.573000       2.642600     -0.6645000    
 H   -3.393100      -1.008600     -0.7113000    
 H   -2.515700      -1.345700      0.8313000    
 H   -3.992500     -0.3525000      0.8445000    
 H    2.588600      -1.146900       1.427400    
 H   5.1700000E-02  -3.936000     -0.6050000    
 H    2.071100      -3.499000      0.8035000    
 H    1.257200       3.555300      0.3046000    
 H    2.848200       3.539800     -0.4850000    
 H    2.716100       3.023500       1.210000    


%chk=000048670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048670

1 1
O 1.915980 1.070346 0.400236
O 1.236189 1.479158 -1.809006
N -2.501309 0.532814 0.155969
N -0.608738 -1.698619 0.375223
C -0.996025 0.709932 -0.131511
C -2.757374 0.116103 1.604873
C -3.168021 1.886826 -0.094049
C -3.118319 -0.499441 -0.797573
C -0.080613 -0.445510 0.253724
C 1.307735 -0.216984 0.452716
C 2.148489 -1.294500 0.802896
C 0.204892 -2.740902 0.704473
C 1.590196 -2.582177 0.930705
C 1.908926 1.831209 -0.824403
C 2.812630 3.023130 -0.683523
H -0.681925 1.623572 0.405210
H -0.900452 0.914265 -1.212974
H -2.252023 0.827268 2.276904
H -3.843313 0.135772 1.785373
H -2.360722 -0.897337 1.749455
H -2.920289 2.228743 -1.110647
H -4.257791 1.768943 0.003698
H -2.804006 2.614860 0.647197
H -2.976684 -0.149976 -1.832133
H -2.597390 -1.452997 -0.634457
H -4.192668 -0.582917 -0.570833
H 3.213448 -1.108153 0.968529
H -0.275526 -3.720242 0.788392
H 2.210437 -3.442194 1.196353
H 2.711886 3.482936 0.312589
H 2.596132 3.755009 -1.474869
H 3.864147 2.696765 -0.785636


