%chk=000021865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021865

0 1
 O   0.4069000      -1.199100     -0.1545000    
 O   -5.013100       1.031600      0.2286000    
 O   -4.984600     -0.7299000      -1.244900    
 O    1.388600      0.1318000       1.425200    
 N   -3.768700     -0.7759000      0.7316000    
 N    2.543800     -0.5912000     -0.4783000    
 C   -1.837900      -2.034100     -0.1354000    
 C   -3.177900      -2.078300      0.5870000    
 C  -0.7985000      -1.195600      0.5988000    
 C   -4.623500     -0.2077000     -0.1953000    
 C    3.825800     -1.5699999E-02 -0.3265000    
 C    1.457800     -0.4846000      0.3688000    
 C    4.807400     -0.2347000      -1.293300    
 C    4.109600      0.7715000      0.7895000    
 C   -5.905200       1.737200     -0.6416000    
 C    6.072500      0.3335000      -1.143900    
 C    5.374800       1.339700      0.9387000    
 C    6.356200       1.120600     -2.8100001E-02
 C   -6.233900       3.080900     -2.6500000E-02
 H   -1.455200      -3.054300     -0.2622000    
 H   -1.968100      -1.635500      -1.149600    
 H   -3.057200      -2.496000       1.592100    
 H   -3.870500      -2.723500      3.5500001E-02
 H  -0.6106000      -1.619200       1.592300    
 H   -1.145800     -0.1621000      0.7085000    
 H   -3.544500     -0.2370000       1.562700    
 H    2.407600      -1.152300      -1.315500    
 H    4.599400     -0.8460000      -2.167700    
 H    3.401200      0.9850000       1.577900    
 H   -5.425100       1.883500      -1.615600    
 H   -6.824300       1.155000     -0.7720000    
 H    6.836700      0.1630000      -1.896500    
 H    5.597200       1.953000       1.807200    
 H    7.341200       1.563100      8.8100001E-02
 H   -6.698000       2.951400      0.9567000    
 H   -5.322200       3.667600      0.1272000    
 H   -6.915300       3.648000     -0.6668000    


%chk=000021865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021865

0 1
O 0.427736 -1.215465 -0.123739
O -5.113840 1.023263 0.265122
O -4.815842 -0.690890 -1.335123
O 1.434836 0.097587 1.555400
N -3.873563 -0.803088 0.813803
N 2.567284 -0.563356 -0.426409
C -1.858428 -2.010864 -0.126652
C -3.218503 -2.104886 0.608320
C -0.821437 -1.230821 0.680572
C -4.611375 -0.211539 -0.188666
C 3.857454 0.016957 -0.276260
C 1.495724 -0.490951 0.447133
C 4.795136 -0.199464 -1.321755
C 4.228692 0.788037 0.856974
C -5.938367 1.773006 -0.723967
C 6.090559 0.349244 -1.236748
C 5.530401 1.329847 0.925185
C 6.468089 1.118880 -0.111539
C -6.325846 3.090514 -0.059267
H -1.485725 -3.035807 -0.313753
H -2.012392 -1.530925 -1.109371
H -3.091919 -2.582918 1.597858
H -3.896549 -2.737695 0.009430
H -0.607512 -1.706715 1.656992
H -1.137927 -0.187722 0.863233
H -3.793243 -0.306644 1.701059
H 2.389343 -1.098582 -1.279194
H 4.509338 -0.795029 -2.198377
H 3.505727 0.953041 1.658418
H -5.339580 1.923301 -1.640594
H -6.819376 1.159016 -0.985840
H 6.803773 0.174853 -2.049941
H 5.811193 1.924387 1.801882
H 7.474457 1.545390 -0.045491
H -6.907321 2.911584 0.861431
H -5.429218 3.677827 0.202975
H -6.945180 3.690328 -0.750897


