%chk=000044589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044589

0 1
 O   0.1652000      0.8078000      -2.447300    
 O   -2.324200      -4.525400      0.3158000    
 O   0.8483000       2.926100       2.351000    
 O   -2.938200      0.6120000       1.539800    
 O    4.370100      -2.106900       1.221000    
 O   -1.648400      -3.055300       1.910900    
 O    1.593300       3.666200      0.3362000    
 N   -2.083400      -1.190700     -0.3099000    
 N    1.812000      0.7760000     -0.1001000    
 C  -0.1359000     -5.9700001E-02  -1.351800    
 C   -1.652800     -0.2748000      -1.357400    
 C   0.3650000      0.5775000     -5.0400000E-02
 C   -3.528400      -1.417300     -0.3831000    
 C    2.500700     -0.5078000     -0.2324000    
 C   -1.365700      -2.463400     -0.4086000    
 C    2.273600       1.481800       1.095000    
 C   -4.303700     -0.1304000     -0.2850000    
 C    3.991800     -0.3351000     -0.3485000    
 C   -1.793800      -3.346700      0.7305000    
 C    1.542400       2.792200       1.192300    
 C   -3.968200      0.8182000      0.6720000    
 C    4.849800      -1.144100      0.3846000    
 C   -5.355100      8.6599998E-02  -1.166100    
 C    4.488100      0.6444000      -1.198900    
 C   -4.696900       2.005200      0.7491000    
 C    6.228800     -0.9707000      0.2651000    
 C   -6.083800       1.273500      -1.088600    
 C    5.867000      0.8177000      -1.318100    
 C   -5.754800       2.232800     -0.1311000    
 C    6.737300      1.0300000E-02 -0.5860000    
 H   0.3466000      -1.003300      -1.602700    
 H   -2.113900      0.7161000      -1.273800    
 H   -1.947800     -0.6466000      -2.349600    
 H   8.8100001E-02 -3.4600001E-02  0.8170000    
 H  -0.1584000       1.535800      4.3600000E-02
 H   -3.782700      -1.941400      -1.314700    
 H   -3.886100      -2.046100      0.4417000    
 H    2.235400      -1.164000      0.6059000    
 H    2.230800      -1.038600      -1.149500    
 H   -1.548800      -2.966300      -1.366100    
 H  -0.2833000      -2.373400     -0.2765000    
 H    2.091100      0.8937000       2.003800    
 H    3.338600       1.735400       1.080300    
 H    1.126000      0.9581000      -2.444100    
 H   -5.623600     -0.6520000      -1.916100    
 H    3.830100       1.274600      -1.790700    
 H   -4.445400       2.756700       1.492500    
 H    6.918600      -1.592800      0.8293000    
 H   -6.907700       1.450800      -1.773800    
 H    6.263300       1.579100      -1.983600    
 H   -6.322100       3.156900     -7.0900001E-02
 H    7.811000      0.1449000     -0.6796000    
 H   -2.582100      -5.096000       1.070800    
 H   0.3912000       3.792400       2.405500    
 H   -2.599000     -0.2933000       1.459700    
 H    5.118600      -2.563500       1.641900    


%chk=000044589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044589

0 1
O 0.325357 -0.143484 -2.393185
O -2.005713 -3.922773 -3.831420
O 3.607063 3.477045 -2.798456
O -2.074549 -1.909199 1.138556
O 3.446220 1.328435 3.468534
O -2.319042 -4.055208 -1.532452
O 2.659100 1.374557 -2.993825
N -2.379262 -1.182037 -1.362055
N 1.672740 1.534342 -0.319206
C -0.284717 0.212250 -1.107697
C -1.812445 0.200393 -1.280648
C 0.229298 1.596101 -0.642071
C -3.854207 -1.212622 -1.054997
C 1.972445 1.110741 1.070287
C -2.058052 -1.846831 -2.645889
C 2.508377 2.612419 -0.837747
C -4.143423 -0.819307 0.387073
C 3.347903 0.469651 1.216812
C -2.154028 -3.358076 -2.554997
C 2.901908 2.386299 -2.296276
C -3.254562 -1.236649 1.429549
C 4.061062 0.582012 2.439647
C -5.314461 -0.107825 0.733439
C 3.936861 -0.283909 0.173730
C -3.566061 -0.954050 2.782692
C 5.324640 -0.029786 2.613341
C -5.628906 0.175611 2.082026
C 5.196387 -0.904822 0.332901
C -4.748935 -0.257001 3.104182
C 5.891389 -0.775546 1.556751
H -0.011412 -0.541516 -0.337285
H -2.275059 0.679768 -0.398743
H -2.080183 0.799150 -2.180060
H -0.369075 1.945895 0.230335
H 0.073640 2.319237 -1.465564
H -4.423462 -0.562839 -1.758022
H -4.178600 -2.257742 -1.221999
H 1.880426 1.949941 1.795117
H 1.200508 0.372014 1.361436
H -2.709906 -1.501515 -3.480320
H -1.020180 -1.576646 -2.925149
H 2.057843 3.629192 -0.762967
H 3.454305 2.655298 -0.265354
H 1.260525 0.214903 -2.436743
H -5.993175 0.220465 -0.064916
H 3.385685 -0.372388 -0.768989
H -2.871789 -1.294014 3.557622
H 5.859798 0.070741 3.567100
H -6.543688 0.723113 2.332147
H 5.628366 -1.486204 -0.488113
H -4.983017 -0.047476 4.154392
H 6.868291 -1.251959 1.693238
H -2.025533 -4.914847 -3.751509
H 3.875713 3.301705 -3.741090
H -1.970691 -1.898755 0.100903
H 4.016883 1.346349 4.276233


