%chk=000046545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046545

0 1
 O    1.065700      -2.553100       2.064400    
 O  -0.2209000      -3.878400      0.7511000    
 N   -2.417400      0.3618000     -0.5621000    
 C   -2.962000       1.543700      -1.229800    
 C   -3.548600     -0.2233000      0.1568000    
 C   -3.859000       2.155100     -0.1635000    
 C   -4.241600      0.9945000      0.7498000    
 C   -1.809200     -0.5734000      -1.496700    
 C   -1.291400      -1.806200     -0.7496000    
 C  -0.2111000      -1.477300      0.3172000    
 C   0.9899000     -0.7717000     -0.2331000    
 C    1.356600      0.5158000      0.1915000    
 C   0.1947000      -2.764100       1.043900    
 C    1.742800      -1.445500      -1.195300    
 C    2.503300       1.128300     -0.3677000    
 C   0.6106000       1.208800       1.158700    
 C    2.870700     -0.8433000      -1.744900    
 C    3.249700      0.4353000      -1.334800    
 C    2.870300       2.415800      5.6800000E-02
 C   0.9896000       2.487400       1.568600    
 C    2.117300       3.089800       1.018600    
 H   -3.562300       1.275000      -2.108600    
 H   -2.176600       2.238800      -1.542800    
 H   -3.248500     -0.9077000      0.9560000    
 H   -4.236800     -0.7474000     -0.5187000    
 H   -4.740200       2.631400     -0.6050000    
 H   -3.317600       2.915800      0.4111000    
 H   -3.882500       1.190700       1.767000    
 H   -5.326400      0.8563000      0.7972000    
 H  -0.9885000     -8.5800000E-02  -2.035200    
 H   -2.531100     -0.9006000      -2.256500    
 H   -2.116200      -2.366900     -0.2919000    
 H  -0.8767000      -2.495200      -1.497900    
 H  -0.7322000     -0.9282000       1.100900    
 H    1.473800      -2.444400      -1.528100    
 H  -0.2779000      0.8180000       1.638400    
 H    3.457700      -1.368900      -2.492600    
 H    4.135100      0.8866000      -1.777700    
 H    3.747900       2.905800     -0.3594000    
 H   0.4042000       3.013800       2.317000    
 H    2.411700       4.085300       1.337900    
 H    1.309000      -3.389200       2.515900    


%chk=000046545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046545

0 1
O 0.349415 -2.671311 2.288608
O 0.270186 -3.955696 0.360947
N -2.551925 0.307333 -0.383348
C -2.944033 1.687079 -0.780245
C -3.815315 -0.326752 0.080535
C -3.921893 2.130090 0.337243
C -4.512007 0.791494 0.900675
C -1.814332 -0.430128 -1.432520
C -1.206681 -1.749508 -0.916176
C -0.186116 -1.513844 0.234104
C 1.115496 -0.846198 -0.255573
C 1.416310 0.541164 0.027554
C 0.156792 -2.834882 0.909068
C 2.024131 -1.608937 -1.004829
C 2.677168 1.092183 -0.443908
C 0.525776 1.414423 0.743570
C 3.251456 -1.056746 -1.478550
C 3.577991 0.268935 -1.194463
C 3.002214 2.460030 -0.155905
C 0.871509 2.742553 1.004862
C 2.123429 3.272628 0.560366
H -3.463961 1.692131 -1.772574
H -2.050190 2.331022 -0.862469
H -3.613286 -1.230842 0.681023
H -4.454924 -0.631784 -0.788184
H -4.704321 2.802258 -0.055771
H -3.380799 2.673717 1.130787
H -4.274422 0.688514 1.973234
H -5.609527 0.738312 0.794975
H -1.003641 0.226791 -1.800950
H -2.475960 -0.657384 -2.308497
H -2.011507 -2.419050 -0.557182
H -0.710124 -2.277134 -1.750582
H -0.666922 -0.878807 0.993885
H 1.794675 -2.659701 -1.217858
H -0.455252 1.044900 1.059660
H 3.937717 -1.685709 -2.055937
H 4.524984 0.699185 -1.541795
H 3.960100 2.856974 -0.513638
H 0.175913 3.387237 1.553983
H 2.382905 4.314711 0.777415
H 0.614868 -3.546051 2.685359


