%chk=000070571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070571

0 1
 O   -4.172000       1.099500     -0.6654000    
 O   -2.131600       1.893900      -1.275300    
 O   0.5297000       2.688700       1.424600    
 N  -0.2009000      0.8577000      0.4345000    
 N  -0.2407000       1.725800       1.496800    
 C   0.6995000       1.047300     -0.7266000    
 C   -1.033400     -0.2832000      0.3967000    
 C    2.017600      0.3454000     -0.5348000    
 C   -2.303700     -0.2243000     -0.1765000    
 C  -0.5694000      -1.480200      0.9427000    
 C    3.070100       1.020800      6.7400001E-02
 C    2.161700     -0.9672000     -0.9623000    
 C   -3.109800      -1.362400     -0.2040000    
 C   -1.375500      -2.618200      0.9149000    
 C   -2.645600      -2.559300      0.3416000    
 C    4.291200      0.3706000      0.2454000    
 C    3.382900      -1.617300     -0.7842000    
 C    4.447500     -0.9484000     -0.1802000    
 C   -2.817800       1.010600     -0.7552000    
 H   0.8695000       2.115000     -0.9212000    
 H   0.2251000      0.6783000      -1.647000    
 H   0.4110000      -1.540500       1.407700    
 H    2.965000       2.049700      0.3979000    
 H    1.344300      -1.496400      -1.443600    
 H   -4.098700      -1.353800     -0.6550000    
 H   -1.015200      -3.549500       1.342100    
 H   -3.272000      -3.446200      0.3182000    
 H    5.120800      0.8919000      0.7141000    
 H    3.505400      -2.643600      -1.117600    
 H    5.398600      -1.454300     -4.2399999E-02
 H   -4.510100       1.932700      -1.057600    


%chk=000070571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070571

0 1
O -3.689209 0.315207 -1.963871
O -2.088638 1.867408 -1.353120
O 0.784355 2.584905 1.955878
N -0.198788 1.015017 0.654503
N -0.085562 1.645264 1.908822
C 0.693140 1.387055 -0.489412
C -1.041985 -0.146454 0.655245
C 1.932919 0.503896 -0.556838
C -2.128579 -0.339597 -0.258642
C -0.773109 -1.133944 1.635660
C 3.057542 0.775685 0.266271
C 1.980306 -0.601891 -1.443225
C -2.871424 -1.551189 -0.190435
C -1.538977 -2.314789 1.702793
C -2.582711 -2.533617 0.774529
C 4.205100 -0.045208 0.201321
C 3.127986 -1.423969 -1.508392
C 4.243847 -1.147428 -0.685079
C -2.574449 0.718981 -1.204933
H 0.964024 2.442509 -0.311252
H 0.095989 1.333896 -1.409848
H 0.057900 -0.966479 2.326370
H 3.026312 1.632047 0.949193
H 1.119073 -0.816015 -2.088717
H -3.694792 -1.690684 -0.894832
H -1.309987 -3.066282 2.465775
H -3.171096 -3.455928 0.809566
H 5.069809 0.176309 0.837002
H 3.154206 -2.272740 -2.201080
H 5.136101 -1.781576 -0.736773
H -3.955801 1.072710 -2.550779


