%chk=000040241.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040241

0 1
 O   0.5527000       3.524400     -0.3787000    
 O   0.4053000      -3.485800      9.8300003E-02
 O   -1.393000       2.515700     -0.2527000    
 O   -1.496200      -2.388900      8.2000002E-02
 O    4.708500      0.9837000     -0.3349000    
 N   -1.621200      6.7900002E-02 -8.1299998E-02
 N  -0.1408000       2.484700     -0.2880000    
 N  -0.2438000      -2.415200      4.5499999E-02
 C   -2.337300      0.1687000       1.167600    
 C   -2.389200      1.2800000E-02  -1.326800    
 C  -0.2200000      3.5399999E-02 -0.1208000    
 C   -1.367100      0.2910000       2.337900    
 C   -3.839400     -0.3696000      -1.050500    
 C   0.5170000       1.224000     -0.2234000    
 C   0.4662000      -1.186000     -5.9099998E-02
 C    1.910900       1.191800     -0.2634000    
 C    1.860100      -1.218100     -9.8999999E-02
 C    2.582500     -2.9200001E-02 -0.2010000    
 C   -2.074200      0.4457000       3.677200    
 C   -4.693200     -0.3969000      -2.310800    
 C    4.035900     -6.2500000E-02 -0.2430000    
 C    4.776400      -1.393700     -0.1753000    
 H   -2.967800     -0.7093000       1.347200    
 H   -2.988500       1.051000       1.171100    
 H   -1.948900     -0.7250000      -2.009500    
 H   -2.355800      0.9743000      -1.849600    
 H  -0.7273000     -0.5952000       2.415700    
 H  -0.7153000       1.164100       2.230300    
 H   -3.898100      -1.358900     -0.5827000    
 H   -4.319300      0.3460000     -0.3743000    
 H    2.488900       2.109600     -0.3427000    
 H    2.381300      -2.169100     -5.0500002E-02
 H   -1.342500      0.5277000       4.487200    
 H   -2.714400     -0.4181000       3.883000    
 H   -2.697100       1.345800       3.688700    
 H   -5.723300     -0.6755000      -2.067400    
 H   -4.304200      -1.125400      -3.029400    
 H   -4.710600      0.5858000      -2.792800    
 H    4.508700      -2.020200      -1.030000    
 H    4.562700      -1.898700      0.7703000    
 H    5.853900      -1.205500     -0.2202000    


%chk=000040241-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040241

0 1
O 0.322139 2.941576 -2.185010
O 0.602734 -2.995360 1.818428
O -0.930632 2.904226 -0.280470
O -1.287457 -2.663039 0.586906
O 4.622650 0.656265 -1.459359
N -1.660050 0.160164 0.127425
N -0.099913 2.362646 -1.110550
N -0.111096 -2.298088 0.989887
C -2.347242 -0.183391 1.400729
C -2.541430 0.673611 -0.955025
C -0.296162 0.032763 -0.061465
C -1.554861 0.199696 2.669997
C -3.612486 -0.367195 -1.368481
C 0.475809 1.032563 -0.772886
C 0.494825 -1.076714 0.419998
C 1.845619 0.911800 -1.028037
C 1.890183 -1.156870 0.235809
C 2.584449 -0.184531 -0.513076
C -2.406566 -0.036453 3.935820
C -4.461424 0.163798 -2.543287
C 4.062630 -0.247462 -0.772818
C 4.859211 -1.409814 -0.195370
H -2.621144 -1.257289 1.425773
H -3.287878 0.398505 1.393496
H -1.927418 0.897338 -1.844471
H -3.018297 1.621055 -0.635444
H -0.622955 -0.388789 2.751908
H -1.258340 1.263595 2.598124
H -3.107723 -1.310710 -1.648680
H -4.271604 -0.601110 -0.511569
H 2.376310 1.697530 -1.575477
H 2.401259 -2.029886 0.650065
H -1.838309 0.230385 4.844068
H -2.704996 -1.097363 4.025744
H -3.326769 0.577071 3.922592
H -5.235934 -0.569851 -2.828331
H -3.837444 0.358007 -3.435407
H -4.972659 1.107905 -2.277314
H 4.486306 -2.378497 -0.578131
H 4.783378 -1.439083 0.907654
H 5.915785 -1.295703 -0.479566


