%chk=000054575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054575

0 1
 O    5.533400       1.317100       2.506800    
 O    4.661300      -2.533000       2.548000    
 O   -4.693200      -1.729500      -1.933000    
 O   -7.725500      -1.224500       1.819000    
 O   -5.824600     -0.3122000       2.658400    
 O   -5.861700       4.479400      0.3178000    
 O   -7.178100       3.502800      -1.250900    
 N    4.781100     -0.9363000      0.8294000    
 N    4.678400     -0.2905000      -1.864600    
 N    1.548200      -2.049700     -0.6667000    
 N    5.732600       1.812700      -1.378400    
 N    6.496100       2.419500      0.7601000    
 N   -4.670800     -0.7202000      0.1545000    
 N    7.033300       3.693900      -1.143000    
 C    3.871400      -1.702600     -5.8600001E-02
 C    4.338700      -1.649900      -1.517400    
 C    2.427400      -1.213200      0.1025000    
 C    5.275700      0.2900000      0.3597000    
 C    5.213100      0.6073000     -0.9596000    
 C    5.787600       1.361800       1.307100    
 C    5.074700      -1.475400       2.080800    
 C   0.1717000      -1.872800     -0.7354000    
 C    6.418800       2.636700     -0.5246000    
 C  -0.4545000     -0.8306000     -3.0500000E-02
 C  -0.6254000      -2.732600      -1.510300    
 C   -6.094800     -0.4897000      0.2445000    
 C   -6.522500      0.8538000     -0.3586000    
 C   -2.612900      -1.516200     -0.8721000    
 C   -1.836400     -0.6538000     -9.8300003E-02
 C   -2.007300      -2.555800      -1.578100    
 C   -4.054100      -1.333100     -0.9424000    
 C   -5.963000       2.104500      0.3315000    
 C   -6.494800     -0.6616000       1.695400    
 C   -6.424000       3.403600     -0.2931000    
 H    3.900500      -2.756700      0.2496000    
 H    5.243200      -2.261600      -1.624700    
 H    3.605500      -2.047600      -2.224500    
 H    2.343200     -0.1679000     -0.2188000    
 H    2.153300      -1.255200       1.164200    
 H    4.700700     -1.9700000E-02  -2.841700    
 H    1.922100      -2.877900      -1.117700    
 H    5.684800       2.007100      -2.372400    
 H    5.812400     -0.8940000       2.647300    
 H   -6.581500      -1.292000     -0.3248000    
 H   0.1130000     -0.1323000      0.5787000    
 H  -0.1690000      -3.548700      -2.066000    
 H   -6.235000      0.8792000      -1.417800    
 H   -7.618900      0.9118000     -0.3388000    
 H   -2.261900      0.1876000      0.4407000    
 H   -2.594800      -3.241600      -2.183100    
 H   -4.115300     -0.4503000      0.9595000    
 H   -6.276000       2.120700       1.380900    
 H   -4.868200       2.085600      0.2900000    
 H    6.959900       3.836900      -2.144300    
 H    7.576900       4.367500     -0.6144000    
 H   -7.991300      -1.318900       2.758500    
 H   -6.143900       5.323100     -9.5500000E-02


%chk=000054575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054575

0 1
O 6.770717 0.655326 1.124359
O 6.512464 -2.936720 -0.730118
O -4.438908 -1.910291 -0.792083
O -6.754548 1.498289 2.184077
O -4.492110 1.496689 2.705641
O -4.434505 4.082043 -2.393771
O -6.237647 2.704424 -2.888184
N 5.041227 -1.145366 -0.457669
N 2.622044 0.081425 -1.384031
N 1.876215 -3.230645 -0.145020
N 3.104758 2.012746 -0.091689
N 5.095919 2.278116 1.211970
N -3.896775 -0.180994 0.649288
N 3.460066 3.956230 1.217639
C 3.930409 -1.992809 -0.967647
C 3.102841 -1.176120 -1.985769
C 3.105949 -2.538651 0.243563
C 4.719411 0.204537 -0.090948
C 3.496790 0.730966 -0.515897
C 5.610353 1.034330 0.764440
C 6.321229 -1.730090 -0.397562
C 0.583689 -2.709546 -0.112686
C 3.923659 2.724080 0.793798
C 0.263414 -1.450359 0.486746
C -0.486555 -3.462608 -0.694078
C -5.288923 0.276402 0.707922
C -5.742038 1.046356 -0.570988
C -2.122798 -1.731047 -0.077935
C -1.065318 -0.984559 0.503969
C -1.799926 -2.979409 -0.678622
C -3.553674 -1.296247 -0.107350
C -4.881764 2.289913 -0.852426
C -5.433082 1.134044 1.959552
C -5.287383 2.994242 -2.131405
H 4.413039 -2.844155 -1.482458
H 3.740455 -0.951170 -2.860190
H 2.234960 -1.758580 -2.332598
H 2.868111 -1.713099 0.933871
H 3.762742 -3.232651 0.798941
H 1.615872 0.151901 -1.202735
H 1.981755 -4.170668 -0.529552
H 2.347828 2.474940 -0.599852
H 7.098244 -1.046998 -0.018631
H -5.958335 -0.602154 0.798795
H 1.036972 -0.859773 0.987635
H -0.268397 -4.432652 -1.158436
H -5.677609 0.337014 -1.412955
H -6.803168 1.326767 -0.456648
H -1.255962 -0.014234 0.979483
H -2.615304 -3.551905 -1.133020
H -3.258307 0.225541 1.338282
H -4.944358 3.032645 -0.032030
H -3.812433 2.017272 -0.933614
H 2.494505 4.255899 1.110810
H 4.083340 4.479651 1.828680
H -6.818815 2.056114 3.006133
H -4.730737 4.530602 -3.232195


