%chk=000080590.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080590

0 1
 O    2.774300     -0.4495000     -0.1570000    
 O    1.931800       1.612600      0.4438000    
 N   -1.977300      0.1268000     -0.3540000    
 C   -3.125000       1.015100     -0.1725000    
 C   -2.257200      -1.033000      0.4921000    
 C   -4.305500      5.5500001E-02 -0.1989000    
 C   -3.735900      -1.289600      0.2414000    
 C  -0.7171000      0.7709000     -1.4800000E-02
 C   0.4486000     -0.1829000     -0.2587000    
 C    1.779300      0.4619000      5.7799999E-02
 C    4.102700      1.5799999E-02  0.1023000    
 C    5.081400      -1.103600     -0.1814000    
 H   -3.197300       1.764700     -0.9667000    
 H   -3.090200       1.532500      0.7949000    
 H   -2.094300     -0.8141000       1.555300    
 H   -1.670700      -1.915400      0.2187000    
 H   -4.715600     -2.9500000E-02  -1.212100    
 H   -5.110900      0.3911000      0.4623000    
 H   -4.235500      -1.666500       1.139600    
 H   -3.874600      -2.029200     -0.5560000    
 H  -0.7087000       1.116500       1.027700    
 H  -0.5833000       1.661100     -0.6428000    
 H   0.4648000     -0.4981000      -1.308700    
 H   0.3747000      -1.068200      0.3821000    
 H    4.322300      0.8724000     -0.5447000    
 H    4.184100      0.3218000       1.151300    
 H    6.109300     -0.7814000      7.0000002E-03
 H    4.863200      -1.974400      0.4455000    
 H    4.999100      -1.432800      -1.222500    


%chk=000080590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080590

0 1
O 2.849473 -0.459347 -0.110126
O 2.021328 1.718378 -0.100821
N -1.998296 0.116631 -0.226857
C -3.148894 1.037283 -0.027035
C -2.382908 -1.127788 0.491189
C -4.383893 0.127718 -0.241080
C -3.887169 -1.306893 0.150045
C -0.696258 0.693908 0.155395
C 0.470604 -0.205489 -0.294225
C 1.816694 0.482678 -0.152688
C 4.239435 0.090335 -0.034596
C 5.184272 -1.107158 -0.024243
H -3.097674 1.880447 -0.738689
H -3.159264 1.463438 1.009970
H -2.245943 -1.013281 1.598812
H -1.767298 -1.983664 0.162749
H -4.695729 0.148562 -1.299118
H -5.241231 0.459080 0.370359
H -4.442306 -1.723113 1.008783
H -4.013493 -2.001770 -0.697478
H -0.626311 0.872936 1.260432
H -0.588179 1.678384 -0.334020
H 0.322176 -0.460391 -1.362724
H 0.501262 -1.161885 0.255853
H 4.400176 0.751541 -0.905456
H 4.320626 0.703983 0.880882
H 6.231671 -0.758318 0.031275
H 4.987251 -1.756528 0.845789
H 5.066379 -1.709176 -0.941377


