%chk=000045964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045964

1 1
 O    1.495300      0.6476000      0.9549000    
 O    1.924300       1.328900      -1.226400    
 N   -3.242600      0.7656000     -2.5300000E-02
 N    3.342900       1.930200      0.5081000    
 C   -1.911400      1.1200000E-02  1.6000001E-02
 C   -4.245800      3.9600000E-02  0.8664000    
 C   -3.734900      0.8140000      -1.469100    
 C   -3.108800       2.200900      0.4793000    
 C   0.4409000      -1.322500      8.8100001E-02
 C    1.730700      -2.073600      0.1205000    
 C  -0.8332000      0.6945000      0.4688000    
 C   -1.923800      -1.276500     -0.4043000    
 C   0.3798000      6.8999999E-03  0.5060000    
 C  -0.7110000      -1.964200     -0.3672000    
 C    2.184000      -2.523100      -1.280800    
 C    1.680900      -3.285900       1.068700    
 C    2.236600       1.313700     -3.9400000E-02
 C    4.296100       2.692600     -0.2643000    
 H   -3.823700     -4.4900000E-02   1.873000    
 H   -5.166200      0.6319000      0.8939000    
 H   -4.470900     -0.9463000      0.4508000    
 H   -3.969400     -0.1955000      -1.817600    
 H   -4.645700       1.421000      -1.497000    
 H   -2.958300       1.273000      -2.089200    
 H   -2.427700       2.758700     -0.1720000    
 H   -4.098700       2.667900      0.4206000    
 H   -2.794000       2.194700       1.528100    
 H    2.533700      -1.434400      0.5054000    
 H  -0.8171000       1.721500      0.8064000    
 H   -2.803700      -1.796200     -0.7630000    
 H  -0.6880000      -2.998900     -0.6982000    
 H    2.247700      -1.667600      -1.962300    
 H    1.495800      -3.252600      -1.721000    
 H    3.174600      -2.988200      -1.232700    
 H    1.382300      -2.978800       2.077200    
 H    2.666600      -3.758600       1.139600    
 H   0.9719000      -4.047000      0.7256000    
 H    3.495900       1.842100       1.507900    
 H    5.275700       2.220000     -0.1590000    
 H    4.336800       3.704100      0.1468000    
 H    4.014700       2.731600      -1.319100    


%chk=000045964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045964

1 1
O 1.806917 0.368196 0.135673
O 1.242644 2.700569 0.069903
N -3.193052 0.811571 -0.146632
N 3.454060 1.913693 0.206404
C -1.909345 -0.019837 -0.046269
C -4.082468 0.529637 1.072155
C -3.944470 0.439043 -1.432389
C -2.920773 2.316641 -0.185167
C 0.452676 -1.597344 0.146963
C 1.735233 -2.425526 0.214586
C -0.661378 0.623434 -0.002814
C -2.016534 -1.423948 0.003337
C 0.506420 -0.172728 0.090248
C -0.832571 -2.186271 0.101658
C 2.362608 -2.537083 -1.207524
C 1.540355 -3.827074 0.835554
C 2.100996 1.786705 0.132839
C 4.122751 3.223660 0.219894
H -3.526142 0.805030 1.979945
H -5.003506 1.127503 0.987479
H -4.330492 -0.539653 1.103950
H -4.207122 -0.627065 -1.406608
H -4.857807 1.050443 -1.500993
H -3.284355 0.634176 -2.290019
H -2.306985 2.559728 -1.063976
H -3.890266 2.833089 -0.253793
H -2.401360 2.622105 0.734075
H 2.450444 -1.864562 0.845959
H -0.531189 1.704768 -0.033517
H -2.978531 -1.945398 -0.028196
H -0.917303 -3.275190 0.150027
H 2.554355 -1.542908 -1.647134
H 1.692893 -3.095000 -1.887531
H 3.322391 -3.081334 -1.154629
H 1.057524 -3.777719 1.828448
H 2.523047 -4.313655 0.963503
H 0.937835 -4.488289 0.185081
H 4.008727 1.057366 0.254951
H 4.799480 3.325453 -0.646297
H 4.702587 3.355989 1.149841
H 3.354007 4.009189 0.165213


