%chk=000033925.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033925

0 1
 O    1.014000      -1.471000      -2.127700    
 O   -1.378700       2.201600      -1.072900    
 O   0.7139000      -3.405800      0.6408000    
 O   -3.845600      0.7415000      0.4824000    
 O   -1.798100      -1.577300       1.580300    
 N  -0.4114000      -1.578100     -0.2884000    
 N   -1.533700      0.4032000      0.3965000    
 C   0.4525000      0.6098000      -1.027000    
 C   0.8595000       1.255800      -2.371900    
 C   0.3747000     -0.9050000      -1.238800    
 C  -0.9122000       1.163800     -0.6022000    
 C    1.524200      0.9968000      1.6500000E-02
 C   -1.275400     -0.9623000      0.6454000    
 C  -0.1581000      0.9537000      -3.450200    
 C    2.649500      0.1981000      0.1709000    
 C    1.348600       2.138300      0.7873000    
 C  -0.3172000      -3.034200     -0.2613000    
 C   -2.622200       1.017600       1.147700    
 C    3.616900      0.5472000       1.113300    
 C    2.316000       2.487600       1.729600    
 C    3.450000       1.691900       1.892600    
 C   0.8808000      -4.816300      0.6892000    
 C   -4.947900       1.342900       1.147900    
 H    1.844300      0.8971000      -2.699400    
 H   0.9530000       2.345300      -2.269900    
 H  -0.2792000     -0.1126000      -3.655500    
 H   -1.149100       1.369100      -3.256400    
 H   0.1805000       1.407600      -4.389300    
 H    2.819500     -0.6903000     -0.4279000    
 H   0.4927000       2.795800      0.6785000    
 H  -9.2100002E-02  -3.417100      -1.262800    
 H   -1.270600      -3.458900      7.3100001E-02
 H   -2.463000       2.101000       1.198600    
 H   -2.651200      0.6122000       2.165100    
 H    4.501800     -7.0000000E-02   1.237900    
 H    2.189000       3.381500       2.333300    
 H    4.204100       1.964800       2.625000    
 H  -3.9500002E-02  -5.299900       1.030500    
 H    1.679400      -5.044100       1.400200    
 H    1.168000      -5.202400     -0.2936000    
 H   -5.039000      0.9544000       2.166800    
 H   -5.859300       1.095300      0.5971000    
 H   -4.836500       2.431400       1.167400    


%chk=000033925-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033925

0 1
O 0.990778 -1.476039 -2.051315
O -1.164929 2.453207 -0.469204
O 0.870705 -3.292690 0.618668
O -3.932953 0.762446 0.274742
O -2.092444 -1.702498 1.436262
N -0.493682 -1.594866 -0.268441
N -1.623785 0.387717 0.496187
C 0.418064 0.645571 -0.964520
C 0.712031 1.345013 -2.329943
C 0.325219 -0.869661 -1.176945
C -0.855225 1.243113 -0.333662
C 1.577773 0.937993 0.048877
C -1.431640 -1.013510 0.622712
C -0.389577 1.152408 -3.392606
C 2.386653 -0.091417 0.592902
C 1.834794 2.286003 0.412755
C -0.313111 -3.046921 -0.211063
C -2.794144 0.949981 1.174217
C 3.446261 0.230452 1.471871
C 2.893629 2.600028 1.290296
C 3.707704 1.573065 1.822072
C 1.231937 -4.713550 0.627925
C -5.173258 1.271448 0.864895
H 1.671199 0.942128 -2.699623
H 0.849992 2.420901 -2.130212
H -0.519015 0.087459 -3.654120
H -1.357839 1.559075 -3.050395
H -0.113084 1.688181 -4.318336
H 2.205963 -1.143847 0.350077
H 1.197357 3.087206 0.022798
H -0.143171 -3.416724 -1.240316
H -1.213565 -3.494525 0.246058
H -2.603463 2.025599 1.347476
H -2.949288 0.400414 2.121632
H 4.064237 -0.575280 1.883327
H 3.079656 3.645517 1.560321
H 4.530408 1.816848 2.503369
H 0.420652 -5.334924 1.060492
H 2.128688 -4.792781 1.260538
H 1.465880 -5.076871 -0.394461
H -5.421854 0.740569 1.807809
H -5.960545 1.082256 0.119891
H -5.110110 2.361506 1.065695


