%chk=000030635.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030635

0 1
 O  -0.1085000     -0.2585000     -0.2696000    
 O    1.174100      -2.001400      0.5157000    
 N   -3.735500     -0.7471000      0.1936000    
 C   -4.863400     -0.2249000     -0.5567000    
 C   -4.868100     -0.6840000      -2.009800    
 C   -4.828200       1.292300     -0.6943000    
 C   -5.815200      0.2976000      -2.694800    
 C   -5.790200       1.571800      -1.846000    
 C   -3.952800     -0.5932000       1.634900    
 C   -2.492600     -7.8299999E-02 -0.2023000    
 C   -4.895300      -1.679300       2.147600    
 C   -1.286800     -0.9362000      0.1463000    
 C   -5.154600      -1.528900       3.638700    
 C    1.076500     -0.9066000     -2.4300000E-02
 C    2.243100     -9.2799999E-02 -0.5754000    
 C    2.338400       1.314300     -6.0000003E-04
 C    3.573200     -0.8316000     -0.4977000    
 C    2.874100       2.347200     -0.7701000    
 C    4.376000     -0.7051000      0.6361000    
 C    1.889600       1.570600       1.295000    
 C    3.988000      -1.635100      -1.559800    
 C    2.961200       3.636000     -0.2439000    
 C    5.593600      -1.381800      0.7075000    
 C    1.976700       2.859500       1.821200    
 C    5.205700      -2.311700      -1.488300    
 C    2.512500       3.892300       1.051600    
 C    6.008500      -2.185100     -0.3546000    
 H   -5.824100     -0.5279000     -0.1235000    
 H   -5.215500      -1.717800      -2.112300    
 H   -3.890300     -0.6267000      -2.497800    
 H   -3.867100       1.719900     -0.9932000    
 H   -5.144800       1.807900      0.2181000    
 H   -5.509600      0.4916000      -3.728000    
 H   -6.832600     -0.1092000      -2.724200    
 H   -6.795500       1.780400      -1.461800    
 H   -5.476100       2.442800      -2.430300    
 H   -3.017900     -0.7005000       2.196000    
 H   -4.336800      0.4030000       1.888200    
 H   -2.418500      0.1053000      -1.279900    
 H   -2.371500      0.9009000      0.2823000    
 H   -4.460200      -2.668700       1.959800    
 H   -5.863400      -1.655100       1.637900    
 H   -1.214500      -1.124700       1.222000    
 H   -1.349700      -1.899200     -0.3759000    
 H   -4.222400      -1.596800       4.208600    
 H   -5.624100     -0.5651000       3.860000    
 H   -5.823900      -2.321000       3.988900    
 H    2.007400      2.4000000E-02  -1.645100    
 H    3.227900       2.160700      -1.780500    
 H    4.078700     -0.1076000       1.491500    
 H    1.481300      0.7842000       1.923500    
 H    3.371500      -1.744800      -2.447900    
 H    3.378900       4.440100     -0.8428000    
 H    6.216700      -1.287600       1.592200    
 H    1.630600       3.058500       2.831200    
 H    5.528300      -2.938100      -2.314800    
 H    2.581200       4.895700       1.461600    
 H    6.955800      -2.713100     -0.2983000    


%chk=000030635-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030635

0 1
O -0.166819 0.085982 -0.163984
O 1.031059 -0.897891 1.572735
N -3.865509 -0.410605 0.166812
C -4.954138 -0.549400 -0.831239
C -4.677774 -1.627047 -1.932392
C -5.366171 0.728893 -1.634814
C -5.369099 -1.113509 -3.236606
C -6.183031 0.145710 -2.809729
C -4.306379 0.137980 1.475709
C -2.593699 0.152842 -0.334216
C -4.948570 -0.926885 2.393036
C -1.417439 -0.566798 0.338407
C -5.426835 -0.331528 3.735007
C 0.999815 -0.169366 0.553816
C 2.190898 0.545538 -0.094479
C 2.844928 1.572303 0.847858
C 3.193556 -0.499072 -0.624148
C 3.387842 2.751719 0.276183
C 3.958034 -1.303415 0.257619
C 2.961846 1.374672 2.247259
C 3.352529 -0.666553 -2.021812
C 4.039137 3.712550 1.080015
C 4.866832 -2.255191 -0.253316
C 3.610323 2.338867 3.052295
C 4.265093 -1.617099 -2.534321
C 4.153454 3.508747 2.474756
C 5.025920 -2.414827 -1.650241
H -5.847089 -0.873448 -0.261338
H -5.065746 -2.609436 -1.611076
H -3.590352 -1.754377 -2.080334
H -4.464224 1.243429 -2.021873
H -5.933467 1.455252 -1.025234
H -4.607872 -0.826378 -3.986205
H -6.010063 -1.881007 -3.705548
H -7.189437 -0.152225 -2.454915
H -6.325112 0.861179 -3.639371
H -3.422666 0.557455 1.994708
H -5.019116 0.988915 1.344556
H -2.523337 -0.000780 -1.425397
H -2.499934 1.249704 -0.159307
H -4.207123 -1.729571 2.566921
H -5.803539 -1.400826 1.871496
H -1.443305 -0.484992 1.439393
H -1.393126 -1.636170 0.066183
H -4.584926 0.116368 4.296422
H -6.182630 0.461235 3.575872
H -5.882295 -1.107457 4.376402
H 1.787035 1.090657 -0.964537
H 3.305349 2.914631 -0.805682
H 3.838654 -1.188040 1.339488
H 2.533526 0.476908 2.705148
H 2.759486 -0.053145 -2.711615
H 4.453048 4.617331 0.620553
H 5.452050 -2.872377 0.437751
H 3.689772 2.174623 4.133033
H 4.380081 -1.733920 -3.617899
H 4.656311 4.253470 3.101900
H 5.734043 -3.152525 -2.044203


