%chk=000036127.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036127

0 1
 O    2.098500      0.5518000      0.6434000    
 N   -1.310500      0.2899000      0.3929000    
 N    1.275100      -1.091000     -0.6324000    
 N    2.561500     -0.8216000      -1.060800    
 C   -1.598200     -0.7177000     -0.6272000    
 C   -1.078000       1.593600     -0.2275000    
 C  -0.1532000     -0.1089000       1.193200    
 C   -2.806300     -0.2977000      -1.459900    
 C   -1.837600      -2.066200      4.4199999E-02
 C   0.1455000       1.535700      -1.137900    
 C  -0.9026000       2.649200      0.8596000    
 C  -0.4838000      -1.388800       1.964500    
 C    1.086600     -0.2717000      0.3363000    
 C    3.002900      0.1434000     -0.2883000    
 H  -0.8247000     -0.8914000      -1.375100    
 H   -1.955200       1.921000     -0.7945000    
 H   4.8999999E-02  0.6359000       1.970900    
 H   -3.164200      -1.131200      -2.076100    
 H   -3.646000      1.5000000E-02 -0.8284000    
 H   -2.575700      0.5070000      -2.165500    
 H  -0.9628000      -2.714200      9.3000002E-02
 H   -2.439100      -2.660500     -0.6650000    
 H   -2.514300      -2.058200      0.9018000    
 H  -5.5100001E-02   2.327000      -1.883200    
 H    1.062600       1.941100     -0.7116000    
 H   0.2740000      0.6934000      -1.815700    
 H   -1.691300       2.581800       1.617600    
 H  -0.9778000       3.648100      0.4122000    
 H   7.0000000E-02   2.617000       1.360500    
 H   -1.490500      -1.432800       2.390500    
 H   0.1054000      -1.297700       2.896000    
 H  -6.2300000E-02  -2.329900       1.607700    
 H    3.961000      0.6391000     -0.2988000    


%chk=000036127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036127

0 1
O 1.971512 -0.075767 -0.560710
N -1.082094 0.253944 0.226051
N 1.728424 -1.950517 0.717460
N 2.845469 -2.151422 -0.191177
C -1.311438 -0.737690 -0.880511
C -1.302418 1.703762 -0.092125
C 0.085087 -0.004984 1.130784
C -2.496535 -0.334605 -1.788866
C -1.590744 -2.151247 -0.309369
C -0.212435 2.351359 -0.991310
C -1.536490 2.533523 1.192583
C -0.312596 -0.702110 2.455308
C 1.240657 -0.733294 0.478251
C 2.938804 -1.038408 -0.904164
H -0.408426 -0.807260 -1.538418
H -2.255987 1.737049 -0.645981
H 0.496000 0.986766 1.403493
H -2.686314 -1.154414 -2.504559
H -3.415439 -0.185685 -1.191752
H -2.302525 0.577183 -2.380531
H -0.735956 -2.561263 0.251557
H -1.802740 -2.849503 -1.140250
H -2.471876 -2.118508 0.356989
H -0.495103 3.388882 -1.251615
H 0.768037 2.384612 -0.482273
H -0.079856 1.784683 -1.930771
H -2.308700 2.056474 1.821055
H -1.879821 3.549017 0.922314
H -0.619627 2.655917 1.800161
H -1.097843 -0.100196 2.941823
H 0.556057 -0.785624 3.133662
H -0.707923 -1.713387 2.280357
H 3.645736 -0.796789 -1.691064


