%chk=000039309.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039309

0 1
 O   -1.596600       2.790400     -0.3916000    
 O    1.569000      -2.710000      0.9148000    
 N   -3.505500     -0.7907000     -0.1079000    
 C   -2.927800      0.4240000      0.4673000    
 C   -1.446100      0.4886000      0.2836000    
 C    1.311400      0.6391000     -6.5700002E-02
 C   0.6805000     -0.5428000      0.3596000    
 C    2.737400      0.4104000     -0.1540000    
 C  -0.6834000     -0.6503000      0.5423000    
 C    3.015200     -0.9171000      0.2149000    
 C  -0.8364000       1.684000     -0.1436000    
 C   0.5504000       1.766000     -0.3213000    
 C    1.730200      -1.565700      0.5516000    
 C   -3.236600     -0.8537000      -1.543800    
 C   -4.944700     -0.8413000      0.1459000    
 C    3.775000       1.249300     -0.5203000    
 C    4.289200      -1.447400      0.2345000    
 C   -3.829900      -2.109900      -2.158800    
 C   -5.239900     -0.8382000       1.636100    
 C    5.078000      0.7360000     -0.5089000    
 C    5.331800     -0.5978000     -0.1356000    
 C   -1.821200       3.677000      0.7009000    
 H   -3.076900      0.4658000       1.552200    
 H   -3.429900       1.302300      4.4000000E-02
 H   -1.123500      -1.579900      0.8852000    
 H    1.009700       2.692300     -0.6515000    
 H   -3.633100      2.5599999E-02  -2.068200    
 H   -2.162100     -0.8911000      -1.750900    
 H   -5.478600     -1.5200000E-02 -0.3407000    
 H   -5.373800      -1.776400     -0.2279000    
 H    3.598500       2.279500     -0.8108000    
 H    4.479600      -2.474200      0.5225000    
 H   -3.583200      -3.004400      -1.576500    
 H   -4.915700      -2.047300      -2.279200    
 H   -3.416600      -2.253700      -3.163800    
 H   -4.619600      -1.562300       2.175400    
 H   -5.108400      0.1500000       2.087400    
 H   -6.286400      -1.118300       1.802900    
 H    5.908700       1.377100     -0.7930000    
 H    6.353900     -0.9675000     -0.1367000    
 H  -0.8782000       4.129100       1.023900    
 H   -2.291900       3.155200       1.540100    
 H   -2.492000       4.472300      0.3644000    


%chk=000039309-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039309

0 1
O -1.449208 3.096401 -0.511138
O 1.353078 -2.797844 0.784502
N -3.619762 -0.586603 -0.221988
C -3.027511 0.709468 0.189126
C -1.502854 0.705750 0.115494
C 1.343354 0.705755 -0.081881
C 0.625202 -0.479454 0.265875
C 2.796409 0.387733 -0.113170
C -0.772884 -0.488646 0.358664
C 2.960490 -0.991263 0.218629
C -0.772955 1.885828 -0.209055
C 0.643714 1.895404 -0.324983
C 1.604289 -1.600577 0.470673
C -3.571566 -0.774929 -1.700023
C -4.971091 -0.808040 0.358258
C 3.920815 1.182952 -0.394402
C 4.227752 -1.589452 0.274261
C -3.645031 -2.253848 -2.122873
C -4.929120 -1.193692 1.849586
C 5.207412 0.581555 -0.339283
C 5.363583 -0.786877 -0.009420
C -1.946261 3.846549 0.657060
H -3.337036 0.901108 1.235478
H -3.415716 1.563021 -0.418572
H -1.326481 -1.404705 0.587755
H 1.138760 2.830509 -0.605234
H -4.380119 -0.189955 -2.207611
H -2.611261 -0.356276 -2.053289
H -5.629664 0.086468 0.213727
H -5.442868 -1.634553 -0.202058
H 3.820099 2.242896 -0.652500
H 4.326266 -2.649464 0.530768
H -2.816686 -2.821724 -1.664842
H -4.594841 -2.730236 -1.819303
H -3.566139 -2.341081 -3.222423
H -4.322654 -2.105413 1.987473
H -4.489052 -0.395916 2.475782
H -5.950602 -1.386008 2.227506
H 6.094603 1.187211 -0.556229
H 6.366944 -1.224649 0.025495
H -1.106571 4.143085 1.315157
H -2.678042 3.255903 1.241261
H -2.436293 4.742406 0.246548


