%chk=000037646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037646

0 1
 O   0.1159000       1.359500       1.478100    
 N   0.3875000     -0.7182000      0.3956000    
 N    4.528700      0.5261000     -8.9199997E-02
 C   -1.844700     -3.9999999E-04  0.8353000    
 C   -1.794400      -1.338500      0.1221000    
 C  -0.3318000      0.3426000      0.9659000    
 C   -2.474300     -0.1077000       2.221100    
 C  -0.4675000      -1.708100     -0.1060000    
 C   -2.529900       1.049200      1.8999999E-02
 C    1.828600     -0.7817000      0.3333000    
 C    2.378800     -0.2962000      -1.006400    
 C   -2.836800      -2.157400     -0.2832000    
 C   -1.767900      -1.146100       3.071900    
 C  -0.1402000      -2.893300     -0.7421000    
 C    3.906800     -0.3132000      -1.106200    
 C   -3.672500       1.674700      0.5120000    
 C   -2.022200       1.396900      -1.230500    
 C   -2.523800      -3.356900     -0.9270000    
 C   -1.186300      -3.721200      -1.154800    
 C   -4.311300       2.653600     -0.2491000    
 C   -2.661000       2.376000      -1.991500    
 C    5.987900      0.4424000     -0.1729000    
 C    4.091200       1.916200     -0.2297000    
 C   -3.805500       3.004300      -1.500800    
 C    6.464700     -0.9929000     -2.9400000E-02
 C    4.679800       2.790300      0.8647000    
 H   -3.526200     -0.4185000       2.170300    
 H   -2.420200      0.8459000       2.763100    
 H    2.217500     -0.1519000       1.141300    
 H    2.157000      -1.805300      0.5465000    
 H    1.997800     -0.9599000      -1.794800    
 H    1.961200      0.6838000      -1.263800    
 H   -3.871000      -1.881200     -0.1088000    
 H   0.8871000      -3.186900     -0.9250000    
 H   -1.847000      -2.156900       2.660800    
 H  -0.7107000     -0.9128000       3.229400    
 H   -2.233100      -1.176600       4.063900    
 H    4.194800      -1.363300     -0.9910000    
 H    4.204900     -3.8999999E-03  -2.116600    
 H   -4.128700       1.457600       1.470100    
 H   -1.133700      0.9242000      -1.639400    
 H   -3.322500      -4.016500      -1.255500    
 H  -0.9651000      -4.658900      -1.657600    
 H   -5.203100       3.143100      0.1314000    
 H   -2.267500       2.649000      -2.966300    
 H    6.369800      0.8648000      -1.110900    
 H    6.453000      0.9921000      0.6519000    
 H    4.346800       2.329500      -1.213500    
 H    3.007600       2.002500     -0.1083000    
 H   -4.303000       3.766300      -2.093500    
 H    5.988200      -1.498700      0.8174000    
 H    6.301700      -1.581900     -0.9372000    
 H    7.545300      -1.001900      0.1541000    
 H    4.554100       2.340300       1.855600    
 H    5.740300       3.006800      0.7033000    
 H    4.164000       3.757300      0.8787000    


%chk=000037646-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037646

0 1
O 0.396829 1.074600 1.481983
N 0.513236 -0.889335 0.172847
N 4.450881 0.732533 -0.283720
C -1.700008 -0.161967 0.772681
C -1.725091 -1.482703 0.009101
C -0.162354 0.121574 0.873230
C -2.299458 -0.299155 2.216419
C -0.396418 -1.852502 -0.334752
C -2.376630 1.020787 0.033260
C 1.973284 -0.915518 0.013914
C 2.440968 -0.350111 -1.347279
C -2.789632 -2.330890 -0.330332
C -1.639378 -1.387535 3.087213
C -0.108668 -3.036402 -1.039799
C 3.975064 -0.149711 -1.377071
C -2.273538 2.328163 0.582064
C -3.100277 0.849804 -1.173565
C -2.522632 -3.535340 -1.034864
C -1.196286 -3.875662 -1.389378
C -2.893239 3.426788 -0.049737
C -3.723771 1.951314 -1.804835
C 5.876326 0.521765 0.078076
C 4.122400 2.171803 -0.490316
C -3.628528 3.243830 -1.244309
C 6.126550 -0.787568 0.851656
C 3.829834 2.905088 0.833687
H -3.383105 -0.499705 2.108321
H -2.201071 0.681314 2.716677
H 2.410406 -0.289046 0.810089
H 2.334062 -1.952662 0.155126
H 2.147973 -1.019555 -2.179924
H 1.926635 0.614124 -1.518217
H -3.817562 -2.072334 -0.051577
H 0.916857 -3.311646 -1.305765
H -1.723906 -2.387165 2.625061
H -0.568318 -1.170992 3.253205
H -2.127703 -1.429391 4.077724
H 4.465542 -1.134582 -1.259927
H 4.270607 0.232770 -2.387202
H -1.674036 2.487096 1.484280
H -3.172455 -0.141037 -1.631287
H -3.347394 -4.202867 -1.305880
H -1.002640 -4.804654 -1.937428
H -2.796728 4.427125 0.387504
H -4.280090 1.796466 -2.736560
H 6.538868 0.558810 -0.825487
H 6.179738 1.368684 0.720841
H 4.941651 2.690315 -1.047807
H 3.223669 2.236103 -1.129914
H -4.112200 4.096916 -1.733546
H 5.497339 -0.816818 1.758501
H 5.896258 -1.682533 0.245174
H 7.188128 -0.857560 1.154200
H 2.948111 2.458173 1.324970
H 4.685605 2.842484 1.531347
H 3.625396 3.976617 0.647128


