%chk=000028137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028137

0 1
 O  -0.7035000       1.274200      -1.783800    
 O   0.8774000      -2.111600      0.3293000    
 O   -4.051800      -1.168200      0.8992000    
 O    2.445600       2.481800       1.897800    
 O    3.875700     -0.7979000      -2.079600    
 O   0.8494000      -4.404000      0.1184000    
 N   -2.457700      0.4478000      0.3572000    
 N   0.4492000       1.091100      0.3061000    
 N    5.895900      0.3581000     -0.6902000    
 N   0.8027000      -3.400600       2.186700    
 C   -1.358400     -0.3355000     -0.1422000    
 C   -1.419100      8.2000002E-02   1.266700    
 C  -0.2113000      0.3618000     -0.8047000    
 C  -0.3138000       1.055100       1.551000    
 C   0.9540000     -0.4853000      -1.418900    
 C    1.816800       1.006800      0.1777000    
 C    2.170500      0.1729000     -0.7982000    
 C   -3.741000     -6.4599998E-02  0.4580000    
 C   0.9215000      -1.973700      -1.078600    
 C    2.793700       1.718700       1.003600    
 C    3.572300     -5.9599999E-02  -1.147700    
 C   -4.774600      0.9094000     -3.8300000E-02
 C   -1.196800      0.5906000      -2.925800    
 C    4.239300       1.468500      0.6850000    
 C    4.610300      0.6438000     -0.3190000    
 C   -6.170600      0.3179000      8.5600004E-02
 C    5.198900       2.214800       1.573500    
 C   -7.266300       1.296100     -0.3450000    
 C   0.8438000      -3.394100      0.8144000    
 C   -8.652000      0.7041000     -0.1382000    
 H   -1.621100      -1.327100     -0.4677000    
 H   -1.666100     -0.6134000       2.052200    
 H   0.2977000      0.6933000       2.384400    
 H  -0.7041000       2.048200       1.794300    
 H    1.042600     -0.3785000      -2.502900    
 H    1.815800      -2.475800      -1.467000    
 H   4.3499999E-02  -2.446500      -1.533900    
 H   -4.555600       1.154300      -1.084000    
 H   -4.696500       1.830000      0.5515000    
 H  -0.4189000      0.5137000      -3.690400    
 H   -1.617100     -0.3962000      -2.709500    
 H   -1.996000       1.203800      -3.354000    
 H   -6.242500     -0.5952000     -0.5195000    
 H   -6.352100      1.8200001E-02   1.126100    
 H    5.041100       1.933500       2.620400    
 H    6.249200       2.020600       1.343800    
 H    5.041000       3.294500       1.477500    
 H   -7.183800       2.224200      0.2324000    
 H   -7.135600       1.557200      -1.401400    
 H    6.064200     -0.2770000      -1.460900    
 H    6.682100      0.7722000     -0.2087000    
 H   -8.824100      0.4660000      0.9163000    
 H   -8.777700     -0.2127000     -0.7230000    
 H   -9.419500       1.417200     -0.4549000    
 H   0.7741000      -4.268700       2.710700    
 H   0.7982000      -2.536500       2.718400    


%chk=000028137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028137

0 1
O -0.582399 1.894765 -1.318928
O 0.883468 -2.222931 0.054971
O -4.163944 0.882783 2.283510
O 2.888372 2.138262 2.270166
O 3.723589 -0.823968 -2.330482
O -1.272261 -3.193640 0.144832
N -2.346169 1.015400 0.835892
N 0.676540 1.274221 0.564901
N 5.843519 0.115557 -1.014091
N 0.332114 -3.530957 1.823942
C -1.348108 0.063219 0.251810
C -1.251181 0.548344 1.712589
C -0.179994 0.717774 -0.525785
C -0.044574 1.492374 1.841456
C 0.808626 -0.180084 -1.370253
C 1.999410 1.032320 0.312568
C 2.165806 0.267380 -0.840827
C -3.719797 0.800690 1.104766
C 0.631090 -1.709506 -1.317654
C 3.137950 1.503101 1.180211
C 3.464360 -0.084122 -1.305229
C -4.600190 0.589509 -0.127378
C -1.574654 1.614652 -2.361176
C 4.475978 1.189946 0.705276
C 4.633196 0.457039 -0.476793
C -6.034682 0.146493 0.220980
C 5.666180 1.668932 1.509034
C -6.933995 0.031675 -1.029573
C -0.125541 -3.013582 0.636084
C -8.369553 -0.421272 -0.686471
H -1.673973 -0.955306 0.016078
H -1.525376 -0.102232 2.549041
H 0.614079 1.245791 2.687761
H -0.367139 2.542683 1.939576
H 0.693655 0.097920 -2.435466
H 1.398261 -2.173042 -1.960158
H -0.377764 -2.028090 -1.636665
H -4.118124 -0.148407 -0.800559
H -4.626620 1.546998 -0.688085
H -1.212662 0.866919 -3.097468
H -2.531652 1.269355 -1.929254
H -1.730262 2.575643 -2.874633
H -6.001104 -0.826794 0.748536
H -6.470654 0.866548 0.938395
H 5.308240 2.194510 2.408894
H 6.312560 0.830670 1.839053
H 6.297157 2.376504 0.934293
H -6.970253 1.012646 -1.547163
H -6.482682 -0.683669 -1.747874
H 5.812616 -0.451445 -1.868858
H 6.726636 0.388133 -0.591012
H -8.853188 0.291079 0.007992
H -8.365573 -1.413810 -0.197964
H -8.999475 -0.492485 -1.592074
H -0.288672 -4.119068 2.372935
H 1.287712 -3.355727 2.126529


