%chk=000170983.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000170983

0 1
 O    4.232100       2.209000     -0.6149000    
 O  -0.4910000       1.748800       1.068600    
 N    2.125100       1.300600     -0.1022000    
 C    2.634600     -0.9158000     -7.7799998E-02
 C    1.616800      2.0400001E-02  8.5800000E-02
 C    3.914600     -0.2118000     -0.3983000    
 C   0.3189000     -0.3375000      0.3887000    
 C    3.492600       1.261900     -0.3964000    
 C    2.377500      -2.266000      5.9900001E-02
 C   4.9800001E-02  -1.700200      0.5296000    
 C  -0.7385000      0.6454000      0.5590000    
 C    1.070100      -2.656300      0.3670000    
 C   -2.149100      0.3862000      0.1384000    
 C   -2.452700     -0.8286000     -0.4299000    
 C   -3.085600       1.373200      0.3367000    
 C   -3.769200      -1.070400     -0.8227000    
 C   -4.402100       1.131600     -5.5900000E-02
 C   -4.743800     -9.0300001E-02 -0.6357000    
 H    4.667600     -0.3776000      0.3764000    
 H    4.284400     -0.4851000      -1.389800    
 H    1.569700       2.145200     -3.3500001E-02
 H    3.162700      -3.004600     -5.6299999E-02
 H  -0.8845000      -2.079900      0.9355000    
 H   0.8467000      -3.709100      0.5199000    
 H   -1.761800      -1.577800     -0.7811000    
 H   -2.843800       2.331700      0.7849000    
 H   -4.029900      -2.005700      -1.310000    
 H   -5.160900       1.895400      8.7399997E-02
 H   -5.766900     -0.2749000     -0.9501000    


%chk=000170983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170983

0 1
O 4.370585 2.257087 -0.579998
O -0.381703 1.947381 0.104644
N 2.230940 1.288894 -0.242256
C 2.750768 -0.942483 0.051221
C 1.696594 0.015113 -0.003584
C 4.058444 -0.217480 -0.199323
C 0.329009 -0.343390 0.159760
C 3.635405 1.263504 -0.369356
C 2.456867 -2.284761 0.317166
C 0.065962 -1.717505 0.458561
C -0.718124 0.709468 0.068855
C 1.101819 -2.666601 0.537907
C -2.171706 0.361272 -0.079457
C -2.623228 -0.732554 -0.867178
C -3.127823 1.229228 0.513941
C -4.006082 -0.960783 -1.040705
C -4.507090 0.987174 0.357100
C -4.950516 -0.110467 -0.420188
H 4.778991 -0.298333 0.634183
H 4.580912 -0.556255 -1.112545
H 1.627736 2.120118 -0.240504
H 3.256017 -3.032395 0.372381
H -0.963174 -2.028991 0.659935
H 0.864358 -3.707941 0.777678
H -1.899319 -1.375966 -1.377932
H -2.767692 2.090078 1.086674
H -4.345435 -1.794946 -1.664507
H -5.236178 1.653416 0.830769
H -6.022938 -0.294082 -0.550045


