%chk=000050435.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050435

0 1
 O    3.461700      -1.148100      -1.326300    
 O   0.2259000      0.3505000       1.728800    
 O   -3.762900       1.665100      0.4354000    
 O   -4.864700     -0.4725000      0.2799000    
 O    3.372800       3.231600      3.9900001E-02
 N    3.353900       1.061300     -0.7182000    
 N    1.737900       1.809700      0.8084000    
 C    1.430800     -0.3860000     -0.2425000    
 C   0.4600000     -0.1116000      -1.405000    
 C    1.233300      -1.825500      0.2545000    
 C    2.844200     -0.2263000     -0.7937000    
 C    1.078100      0.5916000      0.8742000    
 C  -0.9666000     -0.2444000     -0.9626000    
 C   -1.638200      0.8714000     -0.4671000    
 C    2.160400      -2.130800       1.385200    
 C   -1.602500      -1.490900      -1.055400    
 C    2.847800       2.116900      3.0500000E-02
 C   -2.949200      0.6999000     -7.2600000E-02
 C   -3.578300     -0.5208000     -0.1613000    
 C   -2.931100      -1.637400     -0.6491000    
 C   -4.975200      0.9153000      0.6559000    
 C    3.061800      -3.118900       1.361000    
 H   0.6546000     -0.7946000      -2.243800    
 H   0.6170000      0.8939000      -1.820300    
 H    1.371300      -2.544300     -0.5638000    
 H   0.2313000      -1.995000      0.6612000    
 H    4.233900       1.230100      -1.197700    
 H    1.426200       2.530200       1.453700    
 H   -1.165900       1.845500     -0.4030000    
 H   -1.078300      -2.354500      -1.456800    
 H    2.081600      -1.542000       2.295200    
 H   -3.431100      -2.596600     -0.7199000    
 H   -5.782300       1.373700      7.2999999E-02
 H   -5.233600      0.9712000       1.719600    
 H    3.697800      -3.303200       2.220000    
 H    3.183300      -3.756300      0.4923000    


%chk=000050435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050435

0 1
O 3.302142 -1.164352 -1.623101
O 0.388930 0.467516 1.856182
O -4.032015 1.689525 0.322691
O -5.140219 -0.421055 0.064033
O 3.764126 3.127554 0.102893
N 3.478882 0.973437 -0.761711
N 1.979640 1.816000 0.857362
C 1.460623 -0.402522 -0.182148
C 0.394596 -0.117805 -1.353605
C 1.297960 -1.851219 0.370477
C 2.820958 -0.264565 -0.889128
C 1.231424 0.620132 0.936651
C -1.066839 -0.248976 -0.971209
C -1.779886 0.885363 -0.478067
C 2.246233 -2.166340 1.511943
C -1.739006 -1.488958 -1.133098
C 3.115892 2.053142 0.063394
C -3.121491 0.709123 -0.146676
C -3.775620 -0.532653 -0.300728
C -3.111044 -1.653688 -0.801257
C -5.264133 0.932831 0.669947
C 3.312082 -3.000157 1.417871
H 0.650487 -0.842970 -2.147883
H 0.595458 0.894763 -1.753370
H 1.465994 -2.547592 -0.469786
H 0.253385 -1.953918 0.714307
H 4.339929 1.100032 -1.303907
H 1.757740 2.547646 1.540962
H -1.294641 1.858528 -0.359641
H -1.188501 -2.346676 -1.535035
H 2.020475 -1.678005 2.471382
H -3.624282 -2.608766 -0.935990
H -6.134714 1.443320 0.231610
H -5.325810 0.829899 1.769738
H 3.960424 -3.199646 2.278817
H 3.566519 -3.500749 0.475680


