%chk=000048237.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048237

0 1
 O   0.5005000      0.3860000       1.794900    
 O   -1.600000      0.2618000      0.1503000    
 O  -0.3495000       1.857900     -0.9345000    
 N   -5.229600      0.5905000     -0.4015000    
 C   0.7766000      0.1433000      0.4004000    
 C   0.7491000      -1.361800      0.1250000    
 C    2.131200      0.7438000      1.6600000E-02
 C  -0.4233000      0.8764000     -0.2047000    
 C   0.3268000      -1.798100      -1.109700    
 C    3.123900      0.7907000      0.9679000    
 C    1.147600      -2.221200       1.122900    
 C    2.303600       1.213700      -1.264900    
 C   -2.787800      0.8314000     -0.3842000    
 C   -3.980200      2.8500000E-02  0.1108000    
 C   0.3015000      -3.170000      -1.360400    
 C    4.358200       1.338400      0.6180000    
 C    1.122400      -3.593200      0.8721000    
 C    3.537900       1.761200      -1.614700    
 C   0.4669000       1.773300       2.064700    
 C   0.6994000      -4.067600     -0.3693000    
 C    4.565100       1.823500     -0.6733000    
 C   -5.368400       1.987000      1.0300000E-02
 C   -6.371900     -0.1953000      6.3299999E-02
 H   2.5100000E-02  -1.116800      -1.898700    
 H    2.994700      0.4017000       1.972800    
 H    1.489200      -1.873700       2.092500    
 H    1.553500       1.125200      -2.042400    
 H   -2.741300      0.8115000      -1.479800    
 H   -2.822000       1.869900     -4.1299999E-02
 H   -3.969900     -8.0000004E-03   1.208700    
 H   -3.864700      -1.009400     -0.2279000    
 H  -2.5000000E-02  -3.539500      -2.328100    
 H    5.160100       1.382000       1.349200    
 H    1.434400      -4.292100       1.642600    
 H    3.704500       2.125200      -2.624300    
 H  -0.5703000       2.126800       2.046400    
 H    1.072300       2.428600       1.432100    
 H   0.8128000       1.911600       3.094800    
 H   0.6810000      -5.135700     -0.5651000    
 H    5.527700       2.245500     -0.9471000    
 H   -6.373900       2.355800     -0.2275000    
 H   -5.212500       2.126200       1.086300    
 H   -4.692900       2.645700     -0.5441000    
 H   -7.304400      0.1877000     -0.3664000    
 H   -6.465000     -0.1849000       1.155400    
 H   -6.282200      -1.236800     -0.2654000    


%chk=000048237-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048237

0 1
O 0.920841 0.756188 2.020205
O -1.537851 0.396815 -0.010024
O -0.481505 2.458374 -0.104245
N -5.246891 0.517581 -0.516628
C 0.835848 0.443254 0.557719
C 0.640476 -1.081940 0.475614
C 2.128900 0.865102 -0.162603
C -0.426514 1.216062 0.079158
C 0.816852 -1.742196 -0.765208
C 3.342085 0.315721 0.332752
C 0.260486 -1.833222 1.611851
C 2.176882 1.735797 -1.277110
C -2.837357 1.071583 -0.309349
C -3.906154 -0.021079 -0.189700
C 0.612988 -3.134634 -0.870131
C 4.575730 0.631751 -0.269727
C 0.065794 -3.229222 1.508316
C 3.415240 2.043538 -1.889766
C 1.314482 2.131684 2.375568
C 0.236760 -3.885430 0.268138
C 4.617016 1.497193 -1.389798
C -5.821643 1.346802 0.564048
C -6.186681 -0.533336 -0.958423
H 1.122858 -1.169744 -1.648577
H 3.304006 -0.360877 1.193954
H 0.128082 -1.318831 2.566583
H 1.260443 2.192183 -1.660286
H -2.804663 1.488567 -1.330583
H -2.972861 1.901134 0.406677
H -3.858868 -0.475320 0.830884
H -3.661392 -0.821096 -0.911083
H 0.753314 -3.633757 -1.835726
H 5.502108 0.200875 0.126449
H -0.222261 -3.803534 2.396456
H 3.436944 2.717518 -2.753551
H 0.591765 2.874130 1.990952
H 2.323566 2.371110 1.992270
H 1.319641 2.137891 3.477086
H 0.084190 -4.967962 0.189286
H 5.574195 1.740624 -1.864597
H -6.781687 1.775923 0.226638
H -6.010440 0.768995 1.504716
H -5.149705 2.187112 0.808739
H -7.136874 -0.067833 -1.276529
H -6.422190 -1.284803 -0.162681
H -5.764753 -1.071994 -1.825033


