%chk=000028070.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028070

0 1
 O   0.4717000       2.701800      -1.139500    
 O    5.190900       1.119300     -0.2536000    
 O    2.317000      -2.644700      0.4620000    
 O    4.867600      -1.580100      0.2754000    
 N   -3.784200      0.7078000      0.5407000    
 N   -5.824200      -1.096300     -0.4298000    
 C   -4.932300      0.3354000       1.376300    
 C   -4.149600      0.6639000     -0.8804000    
 C   -5.460300      -1.051000      0.9916000    
 C   -4.676200     -0.7229000      -1.265300    
 C   -3.282900       2.030800      0.9072000    
 C   -2.031900       2.366800      9.2900001E-02
 C   -6.323700      -2.420300     -0.7958000    
 C  -0.9015000       1.359700      0.3226000    
 C   0.3819000       1.713000     -0.4155000    
 C    1.574600      0.8374000     -0.2333000    
 C    1.378200     -0.5001000      2.8600000E-02
 C    2.828100       1.398600     -0.3315000    
 C    3.943800      0.5793000     -0.1590000    
 C    2.493900      -1.319400      0.2012000    
 C    3.776600     -0.7796000      0.1073000    
 C    5.772400       1.621900      0.9477000    
 C   0.9732000      -3.115800      0.5416000    
 C    5.396900      -2.205700     -0.8912000    
 H   -5.739000       1.075600       1.286300    
 H   -4.630600      0.3080000       2.430400    
 H   -3.287300      0.8385000      -1.530200    
 H   -4.904100       1.426100      -1.117700    
 H   -4.703500      -1.811800       1.226600    
 H   -6.342000      -1.267000       1.607000    
 H   -4.979200     -0.6971000      -2.319200    
 H   -3.869100      -1.462800      -1.175100    
 H   -3.021900       2.048600       1.972800    
 H   -4.042100       2.806800      0.7467000    
 H   -2.238700       2.497800     -0.9744000    
 H   -1.680900       3.353500      0.4259000    
 H   -6.636400      -2.436200      -1.845800    
 H   -5.571100      -3.203200     -0.6483000    
 H   -7.207700      -2.675400     -0.2009000    
 H  -0.6749000       1.293600       1.392900    
 H   -1.240900      0.3841000     -3.5599999E-02
 H   0.3719000     -0.8890000      7.5800002E-02
 H    2.965800       2.457000     -0.5340000    
 H    5.165700       2.436600       1.355600    
 H    6.766300       2.010900      0.7106000    
 H    5.876800      0.8234000       1.689100    
 H   0.4288000      -2.649700       1.370000    
 H   0.4507000      -3.011600     -0.4155000    
 H    1.021500      -4.188000      0.7594000    
 H    5.728200      -1.454200      -1.614800    
 H    6.259300      -2.808900     -0.5949000    
 H    4.650700      -2.863400      -1.348300    


%chk=000028070-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028070

0 1
O 0.357028 3.142430 -0.407883
O 5.036626 1.349384 -0.976558
O 2.623721 -2.400713 1.001809
O 4.998914 -1.322009 -0.016596
N -3.925651 0.650741 0.481625
N -5.782884 -1.134281 -0.861865
C -5.016788 -0.033307 1.221235
C -4.335054 0.879337 -0.928330
C -5.379395 -1.364709 0.544134
C -4.700042 -0.451352 -1.606350
C -3.491703 1.895561 1.169908
C -2.170019 2.474462 0.624497
C -6.239890 -2.366653 -1.529671
C -1.020942 1.454485 0.684071
C 0.286407 1.975121 0.083610
C 1.491719 1.077568 0.088346
C 1.432549 -0.260580 0.564058
C 2.718870 1.593896 -0.389774
C 3.875187 0.789935 -0.417615
C 2.585074 -1.072793 0.538232
C 3.819138 -0.566050 0.021829
C 6.254417 1.348561 -0.135361
C 1.396467 -2.948626 1.585735
C 4.960622 -2.600812 -0.763519
H -5.937164 0.602123 1.272861
H -4.675885 -0.226691 2.256047
H -3.499967 1.347584 -1.478967
H -5.215821 1.568001 -0.986006
H -4.498192 -2.055246 0.611682
H -6.223434 -1.834875 1.083564
H -5.047790 -0.254072 -2.637821
H -3.779055 -1.088125 -1.668595
H -3.360283 1.645208 2.241986
H -4.284663 2.685639 1.117001
H -2.288846 2.833592 -0.413830
H -1.907225 3.372749 1.214133
H -6.589484 -2.129017 -2.550573
H -5.442990 -3.150220 -1.611200
H -7.088428 -2.800709 -0.970485
H -0.833917 1.151093 1.735871
H -1.336892 0.526764 0.165050
H 0.492042 -0.658930 0.951365
H 2.765612 2.623876 -0.754092
H 6.088305 1.960790 0.772189
H 7.031751 1.812899 -0.760934
H 6.539327 0.320910 0.143424
H 1.075003 -2.358458 2.465358
H 0.576438 -2.986702 0.842559
H 1.660435 -3.968967 1.900251
H 4.677854 -2.414757 -1.816427
H 5.989561 -2.987699 -0.712863
H 4.255636 -3.304358 -0.292518


