%chk=000041798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041798

0 1
 O   -3.952700       1.473000      -1.077000    
 N    2.536300       1.180600      0.1034000    
 C   0.5590000     -0.2153000     -9.0300001E-02
 C    2.773200     -0.1377000      0.7234000    
 C    1.388100     -0.6168000       1.137700    
 C    1.110200       1.219200     -0.2952000    
 C   0.9507000      -1.160400      -1.263600    
 C    3.335300      -1.086900     -0.3497000    
 C    2.447100      -1.158000      -1.596000    
 C  -0.9507000     -0.2575000      0.1047000    
 C    2.869500       2.280200       1.003000    
 C   -1.771800      0.6379000     -0.5841000    
 C   -1.518800      -1.191800      0.9734000    
 C   -3.154500      0.5991000     -0.4052000    
 C   -2.901500      -1.230500       1.152500    
 C   -3.719500     -0.3351000      0.4630000    
 H    3.463300     -0.1049000       1.574200    
 H    1.368600      -1.692500       1.346400    
 H    1.049000     -9.1600001E-02   2.040700    
 H    1.025000       1.551400      -1.336100    
 H   0.5534000       1.933500      0.3269000    
 H   0.3909000     -0.8979000      -2.170700    
 H   0.6545000      -2.188200      -1.012000    
 H    3.429700      -2.093000      7.8199998E-02
 H    4.344800     -0.7743000     -0.6431000    
 H    2.664800     -0.2953000      -2.238600    
 H    2.702000      -2.044300      -2.188500    
 H    2.678000       3.243100      0.5167000    
 H    3.936400       2.258500       1.251000    
 H    2.298800       2.244000       1.937900    
 H   -1.348500       1.360600      -1.276300    
 H  -0.9107000      -1.910300       1.514200    
 H   -3.342000      -1.959600       1.826200    
 H   -4.795900     -0.3707000      0.6062000    
 H   -3.396700       2.047300      -1.631100    


%chk=000041798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041798

0 1
O -4.077780 1.191346 -1.371997
N 2.558903 1.162602 0.215275
C 0.558750 -0.226865 -0.055699
C 2.815599 -0.232819 0.715768
C 1.413558 -0.742833 1.136975
C 1.119210 1.235068 -0.187050
C 0.936964 -1.084756 -1.314164
C 3.363468 -1.114744 -0.436237
C 2.442808 -0.985167 -1.675483
C -0.954703 -0.254992 0.158290
C 2.999156 2.257059 1.097108
C -1.800414 0.490421 -0.706813
C -1.555285 -1.035944 1.177550
C -3.203421 0.460442 -0.543417
C -2.962185 -1.062119 1.330029
C -3.798768 -0.317403 0.475924
H 3.529726 -0.205691 1.559501
H 1.372552 -1.840444 1.254057
H 1.092037 -0.272665 2.086197
H 1.014561 1.626609 -1.218732
H 0.547798 1.906437 0.493111
H 0.323816 -0.766428 -2.179730
H 0.658357 -2.136044 -1.099328
H 3.421721 -2.167868 -0.091478
H 4.387956 -0.792522 -0.700667
H 2.636797 0.002645 -2.133450
H 2.697706 -1.751272 -2.432893
H 2.858451 3.226168 0.584011
H 4.076938 2.152040 1.314783
H 2.448902 2.309149 2.071388
H -1.358594 1.100282 -1.507679
H -0.929165 -1.624131 1.855036
H -3.411483 -1.670436 2.123097
H -4.887750 -0.323879 0.578117
H -3.570885 1.704553 -2.049200


