%chk=000087846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087846

1 1
 O    1.923700     -0.2025000     -0.7773000    
 O    2.294300     -5.2499998E-02   1.501800    
 N   -2.547600       1.295200     -5.9000000E-02
 N    4.078400      0.2786000      4.6900000E-02
 C   -1.648800      0.2972000     -0.1533000    
 C   -2.084300      -1.035100      2.1600001E-02
 C  -0.3043000      0.5734000     -0.4206000    
 C   0.6146000     -0.4708000     -0.5162000    
 C   -1.145000      -2.073400     -7.8199998E-02
 C   -3.440500      -1.266900      0.2881000    
 C   -3.846200       1.086300      0.1952000    
 C   0.1961000      -1.790100     -0.3458000    
 C   -4.327800     -0.1997000      0.3759000    
 C   -2.146200       2.696900     -0.2328000    
 C    2.741400      5.9000002E-03  0.3569000    
 C    5.042700      0.5157000       1.111700    
 C    4.599500      0.3420000      -1.314800    
 H   6.6299997E-02   1.584000     -0.5616000    
 H   -1.449400      -3.109600      5.1199999E-02
 H   -3.813200      -2.278800      0.4287000    
 H   -4.503900       1.945800      0.2551000    
 H   0.9106000      -2.605600     -0.4206000    
 H   -5.378800     -0.3720000      0.5819000    
 H   -1.740000       2.819600      -1.240800    
 H   -3.002400       3.368300     -0.1226000    
 H   -1.411700       2.946300      0.5383000    
 H    4.578400      0.4529000       2.099000    
 H    5.471100       1.513900      0.9828000    
 H    5.835100     -0.2352000       1.042700    
 H    5.021700       1.337300      -1.481500    
 H    3.826400      0.1565000      -2.062700    
 H    5.385400     -0.4110000      -1.423600    


%chk=000087846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087846

1 1
O 2.011496 -0.519083 -0.327645
O 2.212460 1.727138 0.463490
N -2.556088 1.234214 0.379008
N 4.102520 0.429408 -0.057352
C -1.642968 0.225273 0.007675
C -2.178309 -1.048122 -0.430116
C -0.247269 0.459061 0.063715
C 0.623873 -0.580682 -0.318564
C -1.249838 -2.076142 -0.806801
C -3.585287 -1.241145 -0.475110
C -3.905810 1.023867 0.326134
C 0.118164 -1.853670 -0.754059
C -4.450775 -0.202015 -0.096555
C -2.038918 2.556246 0.836693
C 2.770335 0.672907 0.071197
C 5.046705 1.512191 0.301171
C 4.709431 -0.833936 -0.525586
H 0.182558 1.405289 0.388514
H -1.638594 -3.043989 -1.138899
H -3.988048 -2.203663 -0.806840
H -4.541172 1.858493 0.629914
H 0.836069 -2.627318 -1.038320
H -5.535697 -0.317832 -0.120380
H -1.444601 3.026628 0.036747
H -2.886562 3.209447 1.086513
H -1.408718 2.425732 1.731198
H 4.484670 2.399783 0.623534
H 5.668993 1.770744 -0.574112
H 5.705785 1.178490 1.122573
H 5.319336 -0.640221 -1.426552
H 3.934897 -1.570571 -0.767149
H 5.366957 -1.243923 0.262366


