%chk=000044098.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044098

0 1
 O   -1.100700      -1.180500      0.3724000    
 O    1.170800      0.5455000      0.6097000    
 O    1.474900      0.4148000      -1.684200    
 O    4.816900     -0.8595000       1.209500    
 N    3.205400     -0.2457000     -0.2850000    
 N    3.667200     -0.4154000       1.119300    
 C   -2.426900      -1.653200     -2.4000001E-03
 C   -3.408400     -0.4581000      2.6900001E-02
 C   -2.445800      0.6661000      5.2600000E-02
 C   -1.166800      0.1842000      0.2736000    
 C   -2.323500      -2.264700      -1.405400    
 C   -2.835000      -2.728700       1.005600    
 C   -2.682100       2.024200     -6.2399998E-02
 C  -7.8000002E-02   1.027100      0.3891000    
 C   -1.594900       2.895500      4.2100001E-02
 C  -0.3005000       2.399700      0.2673000    
 C    1.927200      0.2471000     -0.5523000    
 C    4.100100     -0.5986000      -1.376400    
 H   -4.016000     -0.4443000      0.9383000    
 H   -4.066300     -0.4303000     -0.8468000    
 H   -1.578900      -3.068700      -1.424700    
 H   -3.284200      -2.671500      -1.737400    
 H   -1.991600      -1.519500      -2.137300    
 H   -3.828700      -3.131200      0.7838000    
 H   -2.115600      -3.555400       1.006900    
 H   -2.841300      -2.325000       2.024500    
 H   -3.683200       2.408600     -0.2245000    
 H   -1.751800       3.967100     -4.6200000E-02
 H   0.5293000       3.097300      0.3490000    
 H    5.005400      1.2200000E-02  -1.307900    
 H    3.634200     -0.4247000      -2.349900    
 H    4.359300      -1.658600      -1.297200    


%chk=000044098-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044098

0 1
O -0.952377 -1.021442 0.240180
O 1.267263 0.931161 0.383479
O 1.294959 -0.138777 -1.715779
O 4.775006 -0.464330 1.254611
N 3.115825 -0.316699 -0.243914
N 3.609150 0.007441 1.058068
C -2.317462 -1.654992 -0.095102
C -3.349183 -0.495105 0.128516
C -2.488454 0.760028 0.118441
C -1.134617 0.358617 0.195294
C -2.231692 -2.079003 -1.570962
C -2.482849 -2.837310 0.862242
C -2.822904 2.124305 0.104260
C -0.104661 1.315199 0.233681
C -1.783400 3.089767 0.164193
C -0.429647 2.686045 0.229782
C 1.820255 0.136112 -0.619121
C 3.922060 -1.123363 -1.180343
H -3.867285 -0.609984 1.100146
H -4.117202 -0.494490 -0.664898
H -1.388298 -2.773773 -1.721251
H -3.166095 -2.583003 -1.880665
H -2.071536 -1.201018 -2.220831
H -3.450006 -3.341277 0.681564
H -1.674975 -3.574244 0.713144
H -2.454412 -2.497744 1.911789
H -3.869504 2.443418 0.052915
H -2.025648 4.156981 0.156699
H 0.381093 3.419559 0.275396
H 4.874324 -0.608998 -1.394409
H 3.337853 -1.256007 -2.100882
H 4.154916 -2.101272 -0.725642


