%chk=000057177.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057177

0 1
 O    1.252200      -2.548800      -1.239300    
 O    2.453600     -8.6199999E-02  -2.036100    
 N  -0.2204000      -1.939200       1.101000    
 N   0.8226000      -1.171200      0.6132000    
 N    4.626800      0.2942000     -0.2607000    
 N    3.544500     -0.5296000     -4.3000001E-03
 C   -1.438200      -1.143800       1.180300    
 C   -1.802700     -0.6200000     -0.2209000    
 C   -3.034300      0.2533000     -0.2384000    
 C   -2.541200      -2.011800       1.786400    
 C   -4.277000     -0.3291000     -0.4310000    
 C   -2.899600       1.621200     -6.1000001E-02
 C    4.738300       1.314300      0.7731000    
 C   -5.414900      0.4776000     -0.4470000    
 C   -4.037500       2.427700     -7.6899998E-02
 C    6.008100       2.128900      0.5476000    
 C    3.503500       2.210900      0.7672000    
 C    1.461100      -1.573200     -0.5356000    
 C   -5.295100       1.855800     -0.2699000    
 C    2.550000     -0.6310000     -0.9476000    
 H   -1.275500     -0.2937000       1.857100    
 H   -1.951200      -1.460900     -0.9133000    
 H  -0.9849000     -3.1199999E-02 -0.6564000    
 H   -2.214000      -2.453400       2.735300    
 H   -3.436300      -1.424300       2.012100    
 H   -2.823700      -2.832100       1.117100    
 H   5.1500000E-02  -2.251800       2.032400    
 H    4.821800      0.8381000       1.759100    
 H   -4.382300      -1.400500     -0.5748000    
 H   -1.924800       2.075400      9.2600003E-02
 H    1.091700     -0.3368000       1.125500    
 H    5.457000     -0.2976000     -0.2532000    
 H   -6.394000      3.2600001E-02 -0.5984000    
 H   -3.944500       3.500900      6.1700001E-02
 H    5.991100       2.639900     -0.4218000    
 H    6.122400       2.891000       1.326200    
 H    6.897600       1.489600      0.5778000    
 H    2.596300       1.667900       1.052000    
 H    3.337400       2.660800     -0.2184000    
 H    3.622600       3.029200       1.486400    
 H   -6.181000       2.484000     -0.2823000    
 H    3.528100      -1.052800      0.8660000    


%chk=000057177-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057177

0 1
O 1.778943 -1.690537 0.441600
O 1.932115 1.856045 1.098422
N -0.735810 -1.173715 1.851415
N 0.273562 -0.232463 1.553320
N 4.452537 1.350300 -0.298055
N 3.445742 0.402218 -0.009942
C -2.105374 -0.741060 1.461368
C -2.245101 -0.806488 -0.088458
C -3.530535 -0.171425 -0.593932
C -3.111120 -1.652407 2.186911
C -4.640133 -0.966042 -0.982264
C -3.657405 1.241598 -0.664165
C 5.816504 0.958088 0.162486
C -5.843041 -0.369617 -1.425469
C -4.857490 1.842994 -1.104416
C 6.812249 1.965447 -0.444358
C 5.868215 0.950029 1.701554
C 1.419459 -0.552126 0.866037
C -5.956905 1.038412 -1.485734
C 2.297386 0.719437 0.673694
H -2.290390 0.316800 1.776615
H -2.176199 -1.867904 -0.388719
H -1.369671 -0.289575 -0.526066
H -3.044830 -1.534556 3.285413
H -4.140141 -1.402240 1.881046
H -2.917136 -2.711072 1.935464
H -0.669471 -1.497210 2.827388
H 6.077859 -0.066243 -0.206865
H -4.556057 -2.059394 -0.944881
H -2.804078 1.873537 -0.385846
H 0.176977 0.763737 1.816486
H 4.422967 1.629453 -1.289874
H -6.686808 -1.001196 -1.726451
H -4.933974 2.935159 -1.156606
H 6.565406 2.989047 -0.110869
H 7.839846 1.728454 -0.119026
H 6.794900 1.943355 -1.551179
H 5.126046 0.248426 2.122020
H 5.644356 1.958929 2.089898
H 6.869695 0.640416 2.051401
H -6.887233 1.502913 -1.831467
H 3.549237 -0.595222 -0.265096


