%chk=000043062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043062

2 1
 O   0.5266000     -0.4044000     -0.4111000    
 N   -3.129500      3.3000000E-03 -4.2900000E-02
 N    4.132300      0.2872000      0.2572000    
 C   -1.862900     -0.5801000     -0.5524000    
 C   -4.342100     -0.6654000     -0.7047000    
 C   -3.193400       1.507800     -0.3385000    
 C   -3.246600     -0.1908000       1.475000    
 C  -0.6896000      0.1248000      9.9399999E-02
 C    2.926600     -0.3679000     -0.4010000    
 C   -4.345900      -2.139500     -0.3637000    
 C   -3.079900       1.727700      -1.831100    
 C   -4.564500      0.3809000       1.950200    
 C    5.366800      5.8100000E-02 -0.6027000    
 C    1.657000      0.2288000      0.1735000    
 C    4.352500     -0.3233000       1.633900    
 C    3.883100       1.781900      0.3991000    
 C    5.609500      -1.429000     -0.7402000    
 H   -1.824800     -0.5561000      -1.646000    
 H   -1.802800      -1.634700     -0.2642000    
 H   -4.217500     -0.5939000      -1.789300    
 H   -5.268100     -0.1476000     -0.4433000    
 H   -2.444900       2.048600      0.2456000    
 H   -4.178300       1.883000     -4.8099998E-02
 H   -2.455000      0.3861000       1.961700    
 H   -3.105900      -1.243500       1.733300    
 H  -0.6693000     -2.7600000E-02   1.181200    
 H  -0.6762000       1.195400     -0.1139000    
 H    2.972600     -0.1800000      -1.480700    
 H    2.953400      -1.450500     -0.2354000    
 H    6.216300      0.5526000     -0.1181000    
 H    5.191100      0.5264000      -1.577700    
 H    1.563300       1.292300     -6.4499997E-02
 H    1.609000      9.3400002E-02   1.259100    
 H   -3.468800      -2.684700     -0.7183000    
 H   -4.503200      -2.351700      0.6960000    
 H   -5.197900      -2.602000     -0.8783000    
 H   -2.125300       1.407400      -2.254600    
 H   -3.898900       1.299300      -2.412500    
 H   -3.131000       2.808000      -2.018100    
 H   -4.671000       1.459000       1.817100    
 H   -5.449200     -0.1307000       1.566400    
 H   -4.611200      0.2335000       3.037600    
 H    3.575600      3.9600000E-02   2.313000    
 H    5.331000     -2.0000001E-03   2.004200    
 H    4.293100      -1.413200       1.577900    
 H    4.827600       2.247200      0.7019000    
 H    3.147900       1.978800       1.184400    
 H    3.579600       2.186300     -0.5716000    
 H    5.842700      -1.921600      0.2071000    
 H    4.793800      -1.963600      -1.233100    
 H    6.490600      -1.576900      -1.376400    


%chk=000043062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043062

2 1
O 0.540426 -0.000409 -0.053531
N -3.253603 0.040689 0.003686
N 4.308532 0.306529 0.187670
C -1.781250 -0.313935 -0.267308
C -4.147418 -0.861274 -0.904455
C -3.557204 1.531114 -0.331582
C -3.568011 -0.208710 1.510470
C -0.728176 0.560922 0.441484
C 2.881364 -0.075565 -0.241709
C -4.070588 -2.367022 -0.628694
C -3.167046 1.990379 -1.741014
C -5.037143 -0.047927 1.916844
C 5.329928 -0.407016 -0.765581
C 1.738580 0.652473 0.494412
C 4.580876 -0.101368 1.635978
C 4.534613 1.813292 0.040712
C 5.289705 -1.936660 -0.756179
H -1.617112 -0.256354 -1.355292
H -1.636551 -1.360463 0.043636
H -3.837784 -0.643240 -1.939359
H -5.176795 -0.490924 -0.772179
H -3.041657 2.131379 0.438000
H -4.641205 1.655931 -0.180274
H -2.940699 0.504968 2.071531
H -3.209982 -1.228348 1.729558
H -0.776291 0.472623 1.545687
H -0.804769 1.630463 0.158690
H 2.803649 0.123959 -1.323869
H 2.767880 -1.158699 -0.079760
H 6.322119 -0.039674 -0.450857
H 5.117763 -0.009424 -1.773626
H 1.716768 1.738362 0.270666
H 1.783621 0.508535 1.593862
H -3.072835 -2.797247 -0.815796
H -4.399972 -2.643598 0.386406
H -4.762664 -2.864118 -1.331557
H -2.084722 1.924325 -1.943307
H -3.712122 1.459518 -2.538256
H -3.444775 3.055785 -1.829330
H -5.421268 0.974345 1.770065
H -5.709475 -0.761390 1.413479
H -5.105962 -0.257620 2.999175
H 3.981245 0.524113 2.313461
H 5.649301 0.051858 1.851918
H 4.322248 -1.160209 1.775994
H 5.590011 2.036346 0.259184
H 3.896761 2.358913 0.751237
H 4.300151 2.116107 -0.991450
H 5.527904 -2.373379 0.227785
H 4.338000 -2.354989 -1.123131
H 6.073932 -2.286667 -1.451096


