%chk=000045494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045494

0 1
 O   -2.413800      -2.832100       1.215600    
 O   -4.056200      -2.517200      -1.002200    
 O    5.761500      -2.356000     -3.7000000E-02
 O    3.657700      -2.975100      6.1700001E-02
 N   -1.238000       3.175400      0.2597000    
 N    4.536200      -2.085700     -4.7400001E-02
 C   -1.079300       1.910600       1.027300    
 C   -1.882700      0.7280000      0.4795000    
 C   0.4187000       1.550300       1.051500    
 C   -2.600100       3.345800     -0.2596000    
 C   -2.914300       2.233000      -1.254200    
 C   -2.755900      0.8862000     -0.6106000    
 C   0.9272000       1.270400     -0.3552000    
 C   -1.801600     -0.5337000       1.094200    
 C  -0.8812000       4.348600       1.066800    
 C   -3.467000     -0.2142000      -1.111200    
 C   -2.524900      -1.621200      0.6014000    
 C   -3.350200      -1.463500     -0.5069000    
 C    2.392900      0.9190000     -0.3394000    
 C    2.775000     -0.4072000     -0.2017000    
 C    3.336700       1.928100     -0.4617000    
 C    4.131300     -0.7318000     -0.1862000    
 C    4.693100       1.603600     -0.4461000    
 C    5.090400      0.2736000     -0.3084000    
 C   -1.391300      -3.706900      0.7432000    
 C   -5.364100      -2.727900     -0.4733000    
 H   -1.434900       2.067100       2.055400    
 H   0.5955000      0.6769000       1.691900    
 H    1.006800       2.352000       1.513800    
 H   -2.687800       4.302600     -0.7893000    
 H   -3.334400       3.355300      0.5575000    
 H   -2.247600       2.293200      -2.123400    
 H   -3.943000       2.361600      -1.611400    
 H   0.7850000       2.137300      -1.012400    
 H   0.3824000      0.4472000     -0.8325000    
 H   -1.172500     -0.6759000       1.969800    
 H   0.1613000       4.314600       1.395300    
 H   -1.519800       4.447900       1.952100    
 H  -0.9772000       5.264900      0.4727000    
 H   -4.123100     -9.0700001E-02  -1.969900    
 H    2.007600      -1.171500     -0.1055000    
 H    3.037400       2.967000     -0.5669000    
 H    5.439600       2.386800     -0.5406000    
 H    6.155800      5.8200002E-02 -0.3005000    
 H   -1.428600      -4.627400       1.332100    
 H  -0.4052000      -3.248900      0.8712000    
 H   -1.555000      -3.957800     -0.3096000    
 H   -6.005100      -1.865300     -0.6810000    
 H   -5.319000      -2.911900      0.6048000    
 H   -5.792800      -3.607900     -0.9605000    


%chk=000045494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045494

0 1
O -2.470492 -2.775401 1.338311
O -4.139020 -2.498926 -1.062087
O 5.844496 -2.432305 -0.085451
O 3.641554 -3.012825 -0.143957
N -1.301661 3.263894 0.280495
N 4.589134 -2.134275 -0.145836
C -1.095161 1.979547 1.013477
C -1.924803 0.816929 0.450052
C 0.424641 1.616059 1.024372
C -2.633367 3.417351 -0.350570
C -2.849820 2.301846 -1.385484
C -2.735194 0.947368 -0.709005
C 1.001108 1.392253 -0.398742
C -1.863127 -0.438404 1.104108
C -0.939965 4.438378 1.098859
C -3.466004 -0.170846 -1.177233
C -2.569960 -1.556757 0.623809
C -3.401642 -1.417502 -0.525491
C 2.467163 1.002625 -0.360073
C 2.846900 -0.359053 -0.289848
C 3.492242 1.987373 -0.358125
C 4.213848 -0.699178 -0.218591
C 4.858234 1.628663 -0.287091
C 5.237877 0.272787 -0.215603
C -1.827357 -3.875679 0.579880
C -5.177838 -3.049271 -0.159563
H -1.398946 2.105649 2.086361
H 0.571436 0.703989 1.633169
H 0.994856 2.419103 1.530078
H -2.657080 4.406581 -0.844750
H -3.464896 3.398437 0.399560
H -2.084252 2.408289 -2.179161
H -3.840723 2.411004 -1.864716
H 0.849791 2.323734 -0.973948
H 0.412377 0.599726 -0.897240
H -1.256045 -0.578265 2.005546
H 0.101245 4.358891 1.455551
H -1.598543 4.566345 1.994715
H -1.014917 5.353394 0.484752
H -4.115768 -0.083592 -2.055191
H 2.097574 -1.156516 -0.294300
H 3.211845 3.045778 -0.421468
H 5.628909 2.406466 -0.292079
H 6.283559 -0.040163 -0.162346
H -1.869682 -4.753093 1.242855
H -0.772842 -3.620960 0.361710
H -2.368340 -4.074971 -0.362895
H -5.961988 -2.289574 0.021570
H -4.737765 -3.370379 0.801314
H -5.606092 -3.909124 -0.696801


