%chk=000056742.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056742

0 1
 O  -2.8800000E-02  -1.296000       1.463300    
 O  -0.8109000       2.750000      0.7765000    
 N    1.112500      -2.562800     -0.1096000    
 N  -0.8213000      0.5842000     -0.2375000    
 C  -3.4899998E-02 -0.4808000     -0.7908000    
 C   0.3390000      -1.470500      0.2986000    
 C    1.534900      -2.746900      -1.492500    
 C    1.554300      -3.599600      0.8199000    
 C   -2.282000      0.4401000     -0.2039000    
 C  -0.2356000       1.781000      0.2826000    
 C    2.874500      -2.078200      -1.751100    
 C   0.5400000      -4.727200      0.9069000    
 C    1.233900       1.893100      0.2121000    
 C   -3.023700       1.576900     -0.2884000    
 C   -2.783200     -0.8191000     -9.1399997E-02
 C   -4.411400       1.440200     -0.2569000    
 C   -4.171000     -0.9557000     -6.0100000E-02
 C    1.815500       2.462200     -0.9080000    
 C    1.999200       1.427500       1.267500    
 C   -4.985100      0.1740000     -0.1428000    
 C    3.204700       2.568600     -0.9748000    
 C    3.388400       1.534100       1.200700    
 C    3.991100       2.104700      7.9499997E-02
 H   0.8668000     -8.7099999E-02  -1.258800    
 H  -0.6125000     -0.9736000      -1.579800    
 H    1.610000      -3.820300      -1.702000    
 H   0.7912000      -2.357800      -2.190600    
 H    2.536100      -3.977200      0.5153000    
 H    1.667900      -3.150100       1.812700    
 H    2.850300      -1.006100      -1.538900    
 H    3.659100      -2.516200      -1.125200    
 H    3.166800      -2.211000      -2.797500    
 H  -0.4363000      -4.354000       1.234000    
 H   0.4019000      -5.213000     -6.4300001E-02
 H   0.8740000      -5.484600       1.622800    
 H   -2.634800       2.570600     -0.4651000    
 H   -2.193900      -1.723400     -2.1700000E-02
 H   -5.046500       2.317400     -0.3414000    
 H   -4.618600      -1.941500      2.8200001E-02
 H    1.209200       2.825300      -1.733000    
 H    1.538100      0.9873000       2.146800    
 H   -6.065800      6.7100003E-02 -0.1230000    
 H    3.674000       3.012400      -1.847900    
 H    4.000800       1.173500       2.022000    
 H    5.072700       2.187300      2.7400000E-02


%chk=000056742-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056742

0 1
O -0.022595 -1.558263 1.514977
O -0.915054 2.913002 0.258101
N 1.110575 -2.642280 -0.198430
N -0.852644 0.612767 -0.181789
C -0.110621 -0.533434 -0.738021
C 0.324361 -1.611887 0.291401
C 1.593716 -2.746097 -1.596291
C 1.541291 -3.705777 0.746305
C -2.302978 0.494427 -0.118917
C -0.241282 1.855473 0.067451
C 2.998469 -2.133865 -1.801337
C 0.554175 -4.890886 0.785384
C 1.270122 1.908366 0.096288
C -3.119430 1.349385 -0.899134
C -2.889183 -0.502487 0.696692
C -4.522495 1.198331 -0.866674
C -4.294395 -0.653984 0.712478
C 1.918418 2.913486 -0.667320
C 2.036585 1.086606 0.962654
C -5.115065 0.192862 -0.066937
C 3.319989 3.065541 -0.601714
C 3.437333 1.257123 1.043183
C 4.084232 2.235987 0.253844
H 0.782971 -0.153881 -1.264049
H -0.759434 -1.013101 -1.496510
H 1.610676 -3.819565 -1.864319
H 0.869128 -2.270686 -2.278788
H 2.548747 -4.045087 0.440871
H 1.616078 -3.251427 1.748417
H 3.007042 -1.056274 -1.559374
H 3.744726 -2.629387 -1.154891
H 3.320760 -2.257651 -2.851462
H -0.433168 -4.551424 1.141504
H 0.428864 -5.349890 -0.212692
H 0.921153 -5.671689 1.476420
H -2.658516 2.133869 -1.504934
H -2.241143 -1.120702 1.325731
H -5.152073 1.866230 -1.465208
H -4.746065 -1.424095 1.347970
H 1.313035 3.578353 -1.292656
H 1.534677 0.344564 1.593109
H -6.204653 0.077973 -0.045438
H 3.813683 3.837183 -1.202810
H 4.019703 0.633349 1.730624
H 5.170884 2.363741 0.316094


