%chk=000043416.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043416

0 1
 O  -0.5269000       1.577000      0.8036000    
 O   -2.342700      -1.455200      0.6661000    
 O    4.082800      0.1636000      0.5649000    
 O   -2.766700       2.719100      -1.268300    
 O   -1.550800      -2.119800      -1.433700    
 O    3.967000      0.3096000      -1.768600    
 N   -4.648600       1.475500     -0.8294000    
 C  -4.0000002E-03 -0.6148000      0.6428000    
 C   0.4962000      0.6814000      0.7124000    
 C   -1.416900     -0.4866000      0.6964000    
 C   -1.680800      0.8600000      0.7936000    
 C   -2.924800       1.638600      0.8863000    
 C   0.9064000      -1.681300      0.5428000    
 C    1.853300      0.9978000      0.6904000    
 C    2.740600     -7.8000002E-02  0.5911000    
 C    2.278100      -1.394500      0.5180000    
 C   -3.424200       2.014500     -0.5052000    
 C   -2.326500      -2.257400     -0.4971000    
 C   -3.395700      -3.307600     -0.4350000    
 C    4.604300      0.3500000     -0.7245000    
 C    6.079900      0.6080000     -0.6466000    
 H   -2.767400       2.568400       1.444600    
 H   -3.688800       1.069800       1.427800    
 H   0.5662000      -2.711100      0.4906000    
 H    2.198600       2.023600      0.7480000    
 H    2.987200      -2.215700      0.4426000    
 H   -5.172500      0.8855000     -0.1913000    
 H   -5.072500       1.654000      -1.733800    
 H   -3.225500      -3.955100      0.4286000    
 H   -3.359800      -3.916900      -1.342400    
 H   -4.376500      -2.830300     -0.3716000    
 H    6.266200       1.511400     -6.0699999E-02
 H    6.475800      0.7577000      -1.655000    
 H    6.581700     -0.2529000     -0.1981000    


%chk=000043416-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043416

0 1
O -0.691618 1.539132 0.674257
O -2.205359 -1.806621 0.704824
O 4.021031 0.630451 -0.097245
O -4.004819 3.444387 0.085100
O -3.460401 -1.271998 -1.200967
O 5.208712 -1.380897 -0.436434
N -3.737049 1.627160 -1.348734
C 0.019186 -0.657343 0.393694
C 0.422993 0.706871 0.439413
C -1.413225 -0.632837 0.610105
C -1.824181 0.679878 0.775649
C -3.130671 1.347482 1.037561
C 0.998803 -1.652901 0.175237
C 1.743234 1.131751 0.277958
C 2.697946 0.112834 0.058595
C 2.344721 -1.268184 0.006092
C -3.658552 2.246833 -0.122833
C -3.180975 -2.072806 -0.286650
C -3.793988 -3.429841 -0.053587
C 5.184313 -0.138309 -0.333354
C 6.367683 0.797238 -0.436167
H -3.050181 2.014277 1.912908
H -3.888883 0.576275 1.265443
H 0.726207 -2.711854 0.140980
H 2.039075 2.182111 0.313969
H 3.118835 -2.015965 -0.164048
H -3.517836 0.630560 -1.466812
H -4.089547 2.169865 -2.136685
H -3.052602 -4.216299 -0.282108
H -4.672316 -3.558876 -0.701370
H -4.076370 -3.546748 1.005657
H 6.213315 1.517122 -1.258460
H 7.281954 0.214446 -0.617152
H 6.473265 1.381104 0.494463


