%chk=000043232.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043232

1 1
 O   0.3692000      -1.318000     -0.8707000    
 O    1.343500      -2.199400       1.020700    
 O    4.111900      -1.999900       1.076800    
 N   -2.791300      0.4774000     -3.3500001E-02
 C   -3.203800     -0.5099000      -1.110800    
 C   -2.614400     -0.5904000       1.212400    
 C   -4.306000      -1.344300     -0.3981000    
 C   -4.073800      -1.151600       1.130600    
 C   -1.942400      -1.332200      -1.511700    
 C   -1.126500      -1.035600       1.017400    
 C   -3.757500       1.659700      0.1719000    
 C  -0.9211000      -1.718900     -0.3870000    
 C   -1.457500       1.198000     -0.3888000    
 C   -3.877800       2.417600      -1.140400    
 C   -3.219400       2.532700       1.294200    
 C    1.422000      -1.624600     -5.7500001E-02
 C    2.716800      -1.133600     -0.6989000    
 C    3.881900      -2.061900     -0.3276000    
 C    2.992600      0.3158000     -0.3311000    
 C    3.681800       1.112300      -1.223700    
 C    2.545600      0.7938000      0.8846000    
 C    3.934800       2.442000     -0.8865000    
 C    2.798500       2.123500       1.221600    
 C    3.493200       2.947500      0.3360000    
 H   -3.603700     -2.9500000E-02  -2.002500    
 H   -2.591100      1.3300000E-02   2.124100    
 H   -4.253600      -2.401800     -0.6764000    
 H   -5.304500     -0.9786000     -0.6620000    
 H   -4.810800     -0.4775000       1.576300    
 H   -4.142100      -2.108000       1.658200    
 H   -2.281700      -2.262300      -1.987500    
 H   -1.424200     -0.7989000      -2.321300    
 H  -0.4133000     -0.2408000       1.251700    
 H  -0.9520000      -1.801800       1.784700    
 H   -4.735900       1.254200      0.4381000    
 H  -0.9332000      -2.810500     -0.2720000    
 H   -1.610600       1.950200      -1.160300    
 H   -1.036900       1.652900      0.5115000    
 H  -0.7039000      0.5710000     -0.8327000    
 H   -4.816600       2.988000      -1.101900    
 H   -3.115200       3.192400      -1.275400    
 H   -3.946200       1.832100      -2.054600    
 H   -4.005900       3.242900       1.581600    
 H   -2.370300       3.160100       1.005300    
 H   -2.965800       1.989900       2.205600    
 H    2.578300      -1.209900      -1.786600    
 H    4.802200      -1.762900     -0.8401000    
 H    3.650300      -3.099600     -0.5907000    
 H    4.030000      0.7254000      -2.176600    
 H    2.024700      0.1812000       1.611200    
 H    4.853000      -2.599000       1.270200    
 H    4.476200       3.083400      -1.575700    
 H    2.459400       2.516200       2.175800    
 H    3.691200       3.982500      0.5991000    


%chk=000043232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043232

1 1
O 0.828728 -0.788607 -0.581056
O 1.060685 -3.025705 0.002998
O 2.322883 -0.911484 2.268654
N -2.893793 0.817019 0.260006
C -2.672435 0.436045 -1.249156
C -2.680060 -0.602679 0.900372
C -3.530738 -0.850572 -1.410991
C -3.582340 -1.500244 0.013659
C -1.174604 0.170081 -1.499948
C -1.195133 -1.007857 0.816575
C -4.379417 1.334296 0.473016
C -0.640365 -0.993823 -0.635190
C -1.925316 1.868652 0.772201
C -4.574853 2.749185 -0.107869
C -4.817581 1.275195 1.948380
C 1.580993 -1.903883 -0.185145
C 3.063461 -1.576973 0.026872
C 3.329268 -1.722991 1.547238
C 3.549196 -0.270381 -0.598290
C 4.160517 -0.304879 -1.876939
C 3.425563 0.975185 0.069653
C 4.636711 0.879687 -2.483026
C 3.908995 2.158081 -0.531733
C 4.512483 2.116695 -1.810661
H -3.023462 1.275983 -1.868619
H -2.997953 -0.556917 1.952444
H -3.057530 -1.518511 -2.148263
H -4.539964 -0.627262 -1.793494
H -4.614861 -1.545007 0.398856
H -3.197558 -2.532210 0.011910
H -1.051995 -0.074017 -2.570003
H -0.562303 1.071519 -1.326985
H -0.555577 -0.377371 1.458778
H -1.106713 -2.029256 1.225767
H -4.993576 0.627872 -0.107406
H -0.833337 -1.972168 -1.112828
H -1.980694 2.756685 0.127377
H -2.202716 2.138777 1.801579
H -0.898891 1.487615 0.767035
H -5.659607 2.947399 -0.156544
H -4.131400 3.531080 0.531108
H -4.185431 2.865416 -1.133693
H -5.838615 1.690326 2.011844
H -4.183313 1.890655 2.609832
H -4.868420 0.250959 2.352591
H 3.607615 -2.417740 -0.446548
H 4.353728 -1.367578 1.770089
H 3.227398 -2.788186 1.832014
H 4.275362 -1.263055 -2.399881
H 2.959238 1.002887 1.059810
H 2.465849 -1.016863 3.242063
H 5.113810 0.835344 -3.468082
H 3.823955 3.113462 -0.001058
H 4.892212 3.034720 -2.272313


