%chk=000045154.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045154

0 1
 O    1.714900     -0.2676000      0.3472000    
 O   -1.715800      0.6641000      0.6903000    
 O   0.6930000       1.802200      0.3575000    
 N    5.375900     -0.1419000     -6.1000001E-02
 C    4.050700     -0.7321000      0.1237000    
 C    2.984800      0.3504000      0.1849000    
 C    5.413000      0.6584000      -1.284500    
 C    6.399300      -1.185900     -0.1019000    
 C  -0.6193000     -0.2227000      0.5910000    
 C   0.6425000      0.5813000      0.4200000    
 C   -2.931800      0.2082000      0.2417000    
 C   -3.223100      -1.147500      0.3119000    
 C   -3.851900       1.109700     -0.2766000    
 C   -4.457300      -1.610500     -0.1445000    
 C   -5.086200      0.6469000     -0.7330000    
 C   -5.388700     -0.7132000     -0.6669000    
 H    4.018400      -1.304900       1.059600    
 H    3.807300      -1.444500     -0.6763000    
 H    2.937500      0.9320000     -0.7407000    
 H    3.173400       1.025700       1.028400    
 H    4.866300       1.599900      -1.174000    
 H    5.030500      0.1140000      -2.155600    
 H    6.443300      0.9602000      -1.510800    
 H    7.398700     -0.7438000     -0.1809000    
 H    6.257500      -1.871900     -0.9450000    
 H    6.389700      -1.771100      0.8245000    
 H  -0.5396000     -0.8081000       1.512800    
 H  -0.6941000     -0.8714000     -0.2906000    
 H   -2.535700      -1.872800      0.7359000    
 H   -3.619400       2.169300     -0.3297000    
 H   -4.695800      -2.668500     -8.7600000E-02
 H   -5.811600       1.345500      -1.139500    
 H   -6.350300      -1.073400      -1.020900    


%chk=000045154-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045154

0 1
O 1.722295 -0.173002 0.044293
O -1.777222 0.757463 -0.031572
O 0.727173 1.943022 0.042166
N 5.469968 -0.167018 -0.038125
C 4.082854 -0.678783 -0.110787
C 3.075034 0.460500 0.082391
C 5.890998 0.560512 -1.254088
C 6.443521 -1.210402 0.343480
C -0.638310 -0.141989 0.012795
C 0.632477 0.703565 0.033573
C -3.058231 0.171071 -0.052797
C -3.306666 -1.223800 -0.039651
C -4.132446 1.093929 -0.089886
C -4.644840 -1.684533 -0.064200
C -5.457242 0.617762 -0.113898
C -5.722976 -0.774697 -0.101239
H 3.936297 -1.411236 0.703599
H 3.865980 -1.208127 -1.072338
H 3.123829 1.226608 -0.710916
H 3.216708 0.953887 1.059181
H 5.212919 1.407213 -1.455723
H 5.915645 -0.089291 -2.165892
H 6.903015 0.975023 -1.101373
H 7.439233 -0.751832 0.480601
H 6.544791 -2.027629 -0.415203
H 6.145475 -1.667601 1.303422
H -0.655984 -0.779594 0.920757
H -0.608385 -0.809446 -0.872821
H -2.488452 -1.949869 -0.011333
H -3.903495 2.163832 -0.098608
H -4.837730 -2.763280 -0.054113
H -6.285409 1.334495 -0.142318
H -6.754722 -1.140753 -0.119979


