%chk=000019789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019789

0 1
 O    2.392700       1.737900     -0.6211000    
 O   0.4064000       2.905200     -0.4997000    
 N   -2.996500     -0.4250000      0.1110000    
 N   0.5472000      0.6988000      0.2635000    
 C   -1.657300     -0.1370000     -0.3861000    
 C  -0.7910000      0.4329000      0.7276000    
 C   -3.836100     -0.9740000     -0.9557000    
 C   -3.610700      0.7811000      0.6694000    
 C    1.583800     -0.2080000      0.3076000    
 C    2.678600      0.4388000     -0.2283000    
 C    1.030300       1.871000     -0.2950000    
 C   -3.197800      -2.223100      -1.532200    
 C   -4.975800      0.4543000       1.243400    
 C    1.645800      -1.508600      0.7626000    
 C    3.904200     -0.1830000     -0.3398000    
 C    2.878300      -2.159200      0.6597000    
 C    3.998200      -1.502000      0.1130000    
 H   -1.683900      0.5592000      -1.235500    
 H   -1.156600      -1.047400     -0.7319000    
 H  -0.7565000     -0.2272000       1.602000    
 H   -1.156700       1.408200       1.060900    
 H   -4.808400      -1.290500     -0.5648000    
 H   -4.017300     -0.2453000      -1.755600    
 H   -3.045500       1.161600       1.524100    
 H   -3.692400       1.587800     -6.9399998E-02
 H   -2.357800      -1.998800      -2.197200    
 H   -2.863200      -2.913100     -0.7497000    
 H   -3.934400      -2.760200      -2.141100    
 H   -5.736700      0.3186000      0.4684000    
 H   -4.950800     -0.4371000       1.880000    
 H   -5.319400       1.287300       1.867700    
 H   0.7870000      -2.019500       1.180900    
 H    4.764000      0.3248000     -0.7607000    
 H    2.976300      -3.185400       1.004300    
 H    4.946000      -2.029200      4.3299999E-02


%chk=000019789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019789

0 1
O 2.458072 1.889376 0.167590
O 0.438408 3.017603 0.730502
N -3.057097 -0.218961 -0.065344
N 0.587989 0.633404 0.582811
C -1.648152 0.067115 -0.414840
C -0.813682 0.294723 0.871794
C -3.704603 -1.220223 -0.954371
C -3.868288 1.018586 0.116472
C 1.625416 -0.267788 0.263739
C 2.778883 0.518511 0.014488
C 1.049757 1.957308 0.525762
C -3.220802 -2.658916 -0.692144
C -5.039962 0.829707 1.098309
C 1.676126 -1.670035 0.182505
C 4.014119 -0.036889 -0.323674
C 2.924300 -2.250848 -0.159179
C 4.069847 -1.453585 -0.408273
H -1.545134 0.960332 -1.075663
H -1.226119 -0.790541 -0.968856
H -0.849343 -0.612192 1.500093
H -1.239796 1.129830 1.453355
H -4.792365 -1.176657 -0.765268
H -3.561430 -0.962343 -2.034046
H -3.200989 1.808691 0.508574
H -4.251145 1.394753 -0.864961
H -2.137512 -2.772736 -0.884235
H -3.413742 -2.939122 0.358054
H -3.749905 -3.370648 -1.352865
H -5.752646 0.060654 0.748554
H -4.661757 0.516724 2.086984
H -5.600342 1.775860 1.215825
H 0.796760 -2.292197 0.376169
H 4.889194 0.590801 -0.510488
H 3.002885 -3.340681 -0.231702
H 5.017055 -1.935717 -0.670068


