%chk=000043641.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043641

0 1
 O    4.850500      0.5577000     -4.8500001E-02
 O   -1.951500      -2.414800      0.6112000    
 N   -1.224300     -0.5646000     -9.3999997E-02
 N   -1.427000      -1.844000     -0.3527000    
 C    1.188800     -0.2862000      0.2340000    
 C  -6.3999998E-03 -1.4600000E-02 -0.6778000    
 C    2.475100      0.2902000     -0.3553000    
 C    3.680900     -1.1100000E-02  0.5250000    
 C   -2.380200      0.2540000     -0.4865000    
 C   -2.622500       1.368100      0.4848000    
 C   -2.583400       2.665300      0.1598000    
 H    1.315500      -1.366300      0.3798000    
 H    1.011400      0.1544000       1.223500    
 H   0.1741000     -0.4041000      -1.689700    
 H  -7.7500001E-02   1.076700     -0.7828000    
 H    2.381900       1.375700     -0.4848000    
 H    2.648100     -0.1181000      -1.358900    
 H    3.551800      0.4188000       1.523100    
 H    3.836800      -1.089300      0.6332000    
 H   -3.307600     -0.3395000     -0.4756000    
 H   -2.288900      0.6185000      -1.519700    
 H   -2.848700       1.097600       1.513300    
 H    4.968800      0.1597000     -0.9278000    
 H   -2.770600       3.425600      0.9101000    
 H   -2.364400       2.989900     -0.8514000    


%chk=000043641-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043641

0 1
O 4.761323 0.844259 0.171185
O -2.699111 -2.449423 -0.108055
N -1.345763 -0.721447 -0.651421
N -1.531348 -2.088202 -0.511906
C 1.015333 -0.138522 0.055482
C 0.004969 -0.326969 -1.100228
C 2.415427 0.244949 -0.475138
C 3.438616 0.426407 0.661809
C -2.429537 0.266934 -0.402407
C -2.115994 1.231062 0.721680
C -2.101691 2.581250 0.588622
H 1.068664 -1.082769 0.632265
H 0.647585 0.645765 0.744084
H 0.366536 -1.116228 -1.783890
H -0.089260 0.611650 -1.677018
H 2.362628 1.188207 -1.053543
H 2.775494 -0.541313 -1.172839
H 3.128915 1.245013 1.333584
H 3.513404 -0.506370 1.262612
H -3.318812 -0.348332 -0.155551
H -2.630893 0.819550 -1.339554
H -1.924469 0.772396 1.702800
H 5.123900 0.134760 -0.417494
H -1.907301 3.238980 1.442537
H -2.297916 3.067990 -0.375314


