%chk=000044051.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044051

1 1
 O   0.5088000     -0.3018000     -6.8899997E-02
 O  -0.5283000      -2.118500      0.8921000    
 N    3.138600      0.7597000      0.2522000    
 C    2.747400     -0.1266000     -0.9215000    
 C    1.612100      -1.071300     -0.5409000    
 C    3.543800     -0.1110000       1.432700    
 C    4.308600       1.646100     -0.1497000    
 C    1.954600       1.630600      0.6472000    
 C    1.152400      -1.979700      -1.673600    
 C  -0.5619000      -1.010800      0.3787000    
 C   -1.819500     -0.2524000      0.1600000    
 C   -2.872500     -0.4419000       1.031400    
 C   -1.896100      0.6185000     -0.9076000    
 C   -4.053900      0.2707000      0.8262000    
 C   -3.077600       1.331100      -1.112600    
 C   -4.156400       1.157200     -0.2456000    
 H    2.448200      0.5400000      -1.739500    
 H    3.638100     -0.6862000      -1.231000    
 H    1.949100      -1.737900      0.2611000    
 H    4.286600     -0.8389000       1.092900    
 H    3.982800      0.5402000       2.195600    
 H    2.668600     -0.6063000       1.860300    
 H    3.992800       2.273700     -0.9884000    
 H    4.591900       2.265800      0.7064000    
 H    5.143600       1.003400     -0.4440000    
 H    1.421700       1.965400     -0.2478000    
 H    1.322500       1.126000       1.381600    
 H    2.355100       2.516100       1.154900    
 H   0.6622000      -1.397300      -2.461700    
 H   0.4346000      -2.736500      -1.344500    
 H    2.004200      -2.507400      -2.115300    
 H   -2.803400      -1.126500       1.871500    
 H   -1.075900      0.7627000      -1.604400    
 H   -4.893800      0.1359000       1.501600    
 H   -3.158900       2.019400      -1.949000    
 H   -5.076500       1.711600     -0.4057000    


%chk=000044051-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044051

1 1
O 0.268918 -0.341490 -0.877978
O 0.066040 -0.778947 1.403579
N 3.162910 0.642729 0.361705
C 2.750152 -0.088302 -0.945863
C 1.567782 -1.073454 -0.904544
C 3.308229 -0.340364 1.526534
C 4.514606 1.308894 0.092124
C 2.156921 1.730924 0.747836
C 1.563832 -1.911785 -2.193943
C -0.477373 -0.399828 0.328426
C -1.872240 0.050743 0.164727
C -2.696750 0.094697 1.324346
C -2.399913 0.425722 -1.102227
C -4.036685 0.512018 1.214725
C -3.741473 0.843861 -1.201953
C -4.559856 0.888302 -0.046748
H 2.547436 0.700996 -1.691016
H 3.648097 -0.647579 -1.262903
H 1.612321 -1.731526 -0.018766
H 3.979825 -1.159420 1.225047
H 3.742531 0.199885 2.382075
H 2.311653 -0.725331 1.793267
H 4.416415 1.991478 -0.766203
H 4.818528 1.875715 0.985021
H 5.264614 0.534188 -0.128749
H 1.970002 2.376211 -0.123265
H 1.228285 1.256961 1.086048
H 2.588069 2.322691 1.570292
H 1.528679 -1.272545 -3.093232
H 0.673816 -2.561011 -2.203404
H 2.458283 -2.557666 -2.248735
H -2.276097 -0.207237 2.288974
H -1.762773 0.379693 -1.989532
H -4.674561 0.542338 2.103528
H -4.153534 1.130534 -2.174584
H -5.603088 1.211005 -0.129911


