%chk=000005380.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005380

0 1
 O    3.283300     -0.2300000      6.0999999E-03
 O    3.508500      -1.891300      -1.603800    
 O    1.610900      -2.960200      0.2836000    
 N   0.6056000     -0.9069000     -0.3374000    
 N   -5.196500      0.8379000      0.2674000    
 N   -3.536000       2.075100     -0.6488000    
 N   -5.588100       2.046600     -0.1598000    
 N   -4.636800       2.814200     -0.7095000    
 C    4.780600       1.564500      0.5266000    
 C    6.098900       2.250100      0.1791000    
 C    4.528000      0.3513000     -0.3571000    
 C    6.326700       3.486000       1.034700    
 C  -0.7490000      -1.053600      4.1200001E-02
 C   -2.972600     -0.1620000      0.1771000    
 C   -1.636500     -1.6300000E-02 -0.1957000    
 C   -1.161700      -2.232600      0.6406000    
 C   -3.403500      -1.342800      0.7818000    
 C   -2.497900      -2.378200       1.013500    
 C    2.926100      -1.324200     -0.7004000    
 C    1.615600      -1.831500     -0.1782000    
 C   -3.905600      0.9037000     -6.1099999E-02
 H    3.946400       2.269300      0.4196000    
 H    4.778300       1.255800       1.579500    
 H    6.931400       1.551800      0.3243000    
 H    6.100400       2.541600     -0.8777000    
 H    4.494900      0.6541000      -1.410500    
 H    5.329000     -0.3852000     -0.2215000    
 H    5.527800       4.219400      0.8854000    
 H    6.360900       3.226300       2.097600    
 H    7.276800       3.960400      0.7702000    
 H   -1.281800      0.8966000     -0.6682000    
 H  -0.5166000      -3.073600      0.8514000    
 H   -4.436800      -1.491000       1.085400    
 H   0.8457000     -1.7000001E-02 -0.7693000    
 H   -2.834000      -3.297400       1.484700    
 H   -6.548000       2.362300     -7.1599998E-02


%chk=000005380-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005380

0 1
O 3.227157 -0.427410 0.010034
O 4.156960 -2.563917 -0.194249
O 1.430111 -3.544837 -0.182548
N 0.778325 -1.280802 0.026468
N -4.851044 1.245635 0.396733
N -2.843341 2.373963 0.420528
N -4.997035 2.600148 0.504087
N -3.805883 3.317993 0.521965
C 4.430805 1.691841 0.152699
C 5.799040 2.416859 0.165406
C 4.599828 0.180455 0.010872
C 5.647896 3.946794 0.304025
C -0.638786 -1.363602 0.063922
C -2.765835 -0.148345 0.225685
C -1.352752 -0.144777 0.180728
C -1.344106 -2.596366 -0.009359
C -3.475116 -1.376765 0.154457
C -2.755161 -2.582357 0.037836
C 3.163254 -1.823586 -0.100239
C 1.694413 -2.315683 -0.089264
C -3.482891 1.125108 0.345385
H 3.815496 2.074368 -0.684456
H 3.882735 1.914525 1.088636
H 6.416106 2.028046 1.000502
H 6.350498 2.182688 -0.767699
H 5.095682 -0.104492 -0.935194
H 5.166227 -0.263813 0.849859
H 5.057596 4.365117 -0.532634
H 5.131978 4.212357 1.245602
H 6.632978 4.447352 0.305899
H -0.824615 0.814468 0.237689
H -0.788866 -3.531399 -0.102516
H -4.568710 -1.372602 0.189881
H 1.196284 -0.345077 0.090086
H -3.296866 -3.532421 -0.018250
H -5.907962 3.053731 0.566627


