%chk=000034573.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034573

0 1
 O   -1.742100      -2.041100      0.3210000    
 O    1.741600      -2.041200     -0.3210000    
 O   -5.785500      0.3990000     -0.3187000    
 O    5.784900      0.3991000      0.3194000    
 N  -0.3031000      0.3553000      0.5478000    
 N   0.3028000      0.3552000     -0.5489000    
 C   -1.685900      0.3554000      0.3293000    
 C    1.690900      0.3554000     -0.3291000    
 C   -2.387300     -0.8452000      0.2185000    
 C    2.386800     -0.8452000     -0.2186000    
 C   -4.441300      0.3846000     -0.1063000    
 C    4.440700      0.3846000      0.1066000    
 C   -3.764900     -0.8306000      6.9999998E-04
 C    3.764400     -0.8307000     -3.0000001E-04
 C   -2.362300       1.570600      0.2222000    
 C    2.361800       1.570500     -0.2229000    
 C   -3.740000       1.585300      4.3000001E-03
 C    3.739400       1.585200     -4.6000001E-03
 C   -1.634300      -2.609200       1.624500    
 C    1.634200      -2.609600      -1.624400    
 C   -6.413600       1.676300     -0.4181000    
 C    6.413000       1.676400      0.4187000    
 H   -4.312600      -1.765700     -8.6499996E-02
 H    4.312100      -1.765700      8.7399997E-02
 H   -1.824200       2.511300      0.3081000    
 H    1.822900       2.510500     -0.3094000    
 H   -4.202200       2.563700     -6.8700001E-02
 H    4.201500       2.563800      6.8300001E-02
 H   -2.627200      -2.818800       2.034600    
 H   -1.084500      -1.940100       2.293900    
 H   -1.083600      -3.550300       1.542700    
 H    1.084900      -1.940600      -2.294200    
 H    1.083400      -3.550600      -1.542600    
 H    2.627400      -2.819500      -2.034000    
 H   -7.480900       1.499400     -0.5867000    
 H   -6.043100       2.240900      -1.280400    
 H   -6.327100       2.241000      0.5164000    
 H    6.042100       2.241300       1.280700    
 H    6.326700       2.240900     -0.5160000    
 H    7.480200       1.499500      0.5877000    


%chk=000034573-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034573

0 1
O -2.210019 0.053913 2.906106
O 2.209341 0.039548 -2.905754
O -6.000496 0.049390 0.138200
O 6.000384 0.044860 -0.138649
N -0.345681 0.051007 0.561502
N 0.345464 0.048348 -0.560826
C -1.754800 0.051297 0.397147
C 1.754624 0.048325 -0.396705
C -2.597350 0.052058 1.568383
C 2.596934 0.043361 -1.568107
C -4.600481 0.050239 0.146272
C 4.600368 0.046582 -0.146436
C -4.004477 0.051259 1.420429
C 4.004094 0.042397 -1.420455
C -2.398468 0.050718 -0.878445
C 2.398572 0.052970 0.878742
C -3.788912 0.050132 -1.026501
C 3.789044 0.052129 1.026496
C -0.809900 0.055792 3.353214
C 0.809153 0.039051 -3.352653
C -6.676205 0.049184 -1.162661
C 6.676368 0.049559 1.162061
H -4.629747 0.051693 2.316244
H 4.629171 0.038488 -2.316396
H -1.747259 0.050636 -1.757103
H 1.747544 0.057248 1.757518
H -4.232525 0.049918 -2.025891
H 4.232879 0.056041 2.025780
H -0.278464 0.952812 2.993523
H -0.276273 -0.840487 2.995034
H -0.886235 0.056577 4.452598
H 0.275586 -0.855339 -2.989714
H 0.885327 0.034141 -4.452039
H 0.277754 0.937939 -2.997589
H -7.750064 0.048745 -0.925567
H -6.423395 -0.855955 -1.747751
H -6.424110 0.954585 -1.747659
H 6.422900 -0.852893 1.751005
H 6.425178 0.957631 1.743296
H 7.750176 0.047200 0.924748


