%chk=000028944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028944

0 1
 O   -3.521800     -0.7505000       1.177600    
 O    3.979100       1.238800      2.6200000E-02
 O   -1.235700       2.944900      -1.096500    
 N   -6.028000     -0.7448000      2.4800001E-02
 N    6.135000     -0.4707000     -0.1742000    
 N   -2.865500      0.8945000     -0.3318000    
 N    2.689200     -0.5407000      0.7904000    
 C   -5.204500      0.4514000     -7.8199998E-02
 C    5.068900     -0.7914000      0.7639000    
 C   -5.506700      -1.808100     -0.8373000    
 C   -7.419200     -0.4472000     -0.3242000    
 C    7.327400      -1.275300      0.1027000    
 C    5.691500     -0.6821000      -1.554000    
 C   -3.789300      0.1172000      0.3492000    
 C    3.877400      0.1030000      0.4849000    
 C   -6.358400      -3.062300     -0.7382000    
 C   -8.004300      0.6056000      0.6018000    
 C    7.847200      -1.021200       1.507400    
 C    6.796200     -0.3506000      -2.542700    
 C   -1.510700      0.7998000     -0.1399000    
 C    1.454800      3.8300000E-02  0.6334000    
 C  -0.9823000     -0.3775000      0.2210000    
 C   0.4000000     -0.7500000      0.3812000    
 C  -0.7621000       2.065200     -0.3769000    
 C    1.418200       1.473600      0.7878000    
 C   0.5037000       2.340100      0.3415000    
 H   -5.523500       1.237500      0.6144000    
 H   -5.216400      0.8619000      -1.095600    
 H    4.789500      -1.850500      0.7059000    
 H    5.345100     -0.5657000       1.799500    
 H   -4.493000      -2.105500     -0.5525000    
 H   -5.460200      -1.486900      -1.886200    
 H   -8.054100      -1.328600     -0.1897000    
 H   -7.519600     -0.1219000      -1.367300    
 H    7.139800      -2.347500     -3.5799999E-02
 H    8.151800     -0.9952000     -0.5605000    
 H    5.363100      -1.717300      -1.715300    
 H    4.846300     -3.8199998E-02  -1.815100    
 H   -5.821300      -3.903800      -1.190900    
 H   -7.303700      -2.974000      -1.282600    
 H   -6.565700      -3.333600      0.3026000    
 H   -9.091500      0.6471000      0.4702000    
 H   -7.626100       1.609400      0.3856000    
 H   -7.812000      0.3721000       1.654700    
 H    8.849200      -1.452800       1.611900    
 H    7.224500      -1.490600       2.275000    
 H    7.929700      4.9899999E-02   1.722100    
 H    6.373200     -0.2810000      -3.551600    
 H    7.568300      -1.124900      -2.587300    
 H    7.265400      0.6143000      -2.321900    
 H   -3.201400       1.720700     -0.8211000    
 H    2.711700      -1.546300      0.9423000    
 H   -1.597400      -1.271500      0.2815000    
 H   0.5639000      -1.825400      0.3006000    
 H    2.212800       1.921300       1.383800    
 H   0.6806000       3.398700      0.5253000    


%chk=000028944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028944

0 1
O -3.706163 -1.421502 0.154981
O 4.396633 1.248676 -0.151591
O -1.882147 3.004510 -0.809733
N -6.458571 -0.671570 -0.153307
N 6.509516 -0.737313 -0.026708
N -3.011692 0.771026 -0.321643
N 2.837089 -0.482841 0.214746
C -5.413550 0.345128 -0.247449
C 5.205712 -0.978568 0.584051
C -6.501417 -1.595955 -1.318483
C -7.784584 -0.116337 0.220262
C 7.627452 -1.405966 0.685013
C 6.519650 -0.932686 -1.500351
C -3.981652 -0.218383 -0.112527
C 4.133842 0.056489 0.162126
C -7.059711 -2.983168 -0.950845
C -7.868414 0.321563 1.695569
C 7.945045 -0.774606 2.054526
C 7.626537 -0.124517 -2.202713
C -1.614592 0.703613 -0.251389
C 1.563801 0.128739 0.016383
C -0.930864 -0.483387 0.054015
C 0.459376 -0.732293 0.171656
C -1.043447 2.049199 -0.546292
C 1.500739 1.527658 -0.315593
C 0.384153 2.319093 -0.548876
H -5.548838 1.076684 0.572618
H -5.453646 0.942822 -1.199567
H 4.808372 -2.015247 0.385073
H 5.307784 -0.894370 1.683385
H -5.466841 -1.730109 -1.678221
H -7.089320 -1.153853 -2.162819
H -8.530548 -0.912962 0.050662
H -8.078105 0.736388 -0.445469
H 7.439649 -2.504595 0.808039
H 8.522519 -1.313981 0.045439
H 6.606098 -2.017291 -1.768044
H 5.545681 -0.583601 -1.889063
H -7.049659 -3.648507 -1.834542
H -8.101349 -2.932197 -0.584217
H -6.435447 -3.430565 -0.159396
H -8.893210 0.660062 1.936821
H -7.184133 1.158619 1.927095
H -7.607689 -0.523891 2.355046
H 8.843473 -1.247232 2.492741
H 7.122495 -0.900630 2.782562
H 8.133614 0.306058 1.936361
H 7.554604 -0.251357 -3.298851
H 8.639446 -0.444174 -1.898022
H 7.512917 0.945215 -1.959447
H -3.300911 1.742211 -0.565143
H 2.802341 -1.482205 0.439001
H -1.581583 -1.347220 0.228867
H 0.700039 -1.775650 0.428782
H 2.473029 2.024749 -0.394890
H 0.585582 3.371927 -0.788727


