%chk=000036796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036796

0 1
 O   0.1054000     -0.3391000       1.721900    
 O    1.186500     -0.9841000      -2.695800    
 N    1.012500     -0.7235000     -0.3807000    
 N  -0.7844000     -0.3488000      -1.633100    
 N    4.603000     -0.1941000      0.4730000    
 C   -1.288400     -8.2900003E-02 -0.2880000    
 C   7.4999998E-03 -0.3863000      0.5003000    
 C    2.362100      -1.063800      2.3900000E-02
 C   -2.375900      -1.067100      0.1601000    
 C   -1.737700       1.380700     -0.2315000    
 C   0.5581000     -0.7177000      -1.679600    
 C    3.259800      0.1647000      3.6600001E-02
 C   -2.841000      -2.046600     -0.7205000    
 C   -1.056300       2.292400      0.5780000    
 C   -2.905000     -0.9879000       1.450300    
 C   -2.830000       1.808700     -0.9894000    
 C    5.167900      -1.230700     -0.3934000    
 C    5.473000      0.9836000      0.4878000    
 C   -3.829900      -2.941900     -0.3129000    
 C   -1.465100       3.625000      0.6293000    
 C   -3.893900      -1.883300       1.857800    
 C   -3.238800       3.141300     -0.9380000    
 C    6.537800      -1.643100      0.1105000    
 C    4.885700       2.055500       1.385700    
 C   -4.356500      -2.860300      0.9762000    
 C   -2.556400       4.049400     -0.1286000    
 H   -1.351700     -0.2596000      -2.471100    
 H    2.689400      -1.813800     -0.7002000    
 H    2.325000      -1.524800       1.018000    
 H    3.270700      0.6324000     -0.9572000    
 H    2.791600      0.8786000      0.7229000    
 H   -2.460500      -2.146400      -1.732100    
 H  -0.1953000       2.019700       1.177100    
 H   -2.563800     -0.2310000       2.151300    
 H   -3.372700       1.116200      -1.627500    
 H    5.228800     -0.9109000      -1.440900    
 H    4.581500      -2.152100     -0.3547000    
 H    5.636600       1.389300     -0.5184000    
 H    6.451700      0.7421000      0.9144000    
 H   -4.190600      -3.702800     -0.9989000    
 H  -0.9324000       4.333400       1.257100    
 H   -4.304900      -1.819000       2.861100    
 H   -4.088100       3.472100      -1.528700    
 H    7.311000     -0.9038000     -0.1204000    
 H    6.537600      -1.835600       1.189100    
 H    6.844900      -2.572400     -0.3832000    
 H    4.044400       2.579800      0.9216000    
 H    5.646900       2.818000       1.587900    
 H    4.568700       1.652900       2.354200    
 H   -5.126800      -3.557100       1.293300    
 H   -2.874200       5.087200     -8.9199997E-02


%chk=000036796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036796

0 1
O 0.152063 0.174925 1.671977
O 1.189955 -1.253297 -2.686624
N 0.974337 -0.675512 -0.375040
N -0.833631 -0.473668 -1.701448
N 4.668595 -0.125518 0.299559
C -1.317303 -0.014325 -0.378413
C 0.001414 -0.135089 0.465320
C 2.353884 -0.988023 0.028471
C -2.357405 -0.975193 0.240386
C -1.829019 1.438923 -0.475422
C 0.500619 -0.846444 -1.719958
C 3.272677 0.259939 0.000704
C -2.656906 -2.222389 -0.356029
C -0.989556 2.546827 -0.204506
C -2.983381 -0.619481 1.462457
C -3.149391 1.672760 -0.938827
C 5.425101 -0.543198 -0.912292
C 5.394124 0.850646 1.153474
C -3.586907 -3.098175 0.250540
C -1.460609 3.864566 -0.397441
C -3.906287 -1.496774 2.068941
C -3.617518 2.989062 -1.138846
C 6.557027 -1.541523 -0.602878
C 4.938703 0.810498 2.624758
C -4.215511 -2.738102 1.463128
C -2.773251 4.091044 -0.869337
H -1.372262 -0.372348 -2.559802
H 2.731023 -1.754564 -0.669626
H 2.337220 -1.404852 1.049096
H 3.175727 0.761880 -0.991502
H 2.914896 0.972012 0.765133
H -2.160197 -2.510856 -1.288277
H 0.024356 2.388670 0.177272
H -2.735561 0.335738 1.936857
H -3.816601 0.823388 -1.126894
H 5.839910 0.342984 -1.456239
H 4.710901 -1.023672 -1.607041
H 5.300332 1.892858 0.755036
H 6.468898 0.597034 1.110529
H -3.814876 -4.059990 -0.222282
H -0.804446 4.713468 -0.175823
H -4.381720 -1.215026 3.014921
H -4.639346 3.154871 -1.497574
H 7.319772 -1.108345 0.069744
H 6.145944 -2.441822 -0.114025
H 7.067890 -1.845170 -1.535711
H 3.864781 1.048853 2.731646
H 5.506533 1.545115 3.226090
H 5.103860 -0.196528 3.045464
H -4.934464 -3.417455 1.934509
H -3.136590 5.113775 -1.018753


