%chk=000049721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049721

0 1
 O    1.066600       1.945900      6.0000003E-04
 N   -1.158500       1.064600      1.4000000E-03
 N   -1.225800      -1.372700      1.7000000E-03
 N    2.361200       1.440200      9.9999997E-05
 C   -3.268700     -9.3800001E-02 -6.9999998E-04
 C   -1.721500     -0.1373000      1.9000000E-03
 C   -3.815100     -0.8062000       1.255700    
 C   -3.810700     -0.7959000      -1.264700    
 C   -3.839800       1.341300      4.0000002E-03
 C    3.418100     -0.7473000     -7.9999998E-04
 C    2.222000      0.1108000      3.0000001E-04
 C   0.8738000     -0.2815000      7.9999998E-04
 C   0.1769000      0.9144000      8.9999998E-04
 C   0.1259000      -1.453400      1.1000000E-03
 C    4.298500     -0.5649000       1.259300    
 C    4.297100     -0.5640000      -1.261600    
 H    3.093100      -1.796500     -1.0000000E-03
 H   -4.910200     -0.7718000       1.288000    
 H   -3.521000      -1.861700       1.282600    
 H   -3.436300     -0.3365000       2.171000    
 H   -3.515800      -1.851000      -1.299500    
 H   -4.905600     -0.7618000      -1.300300    
 H   -3.429100     -0.3185000      -2.174800    
 H   -4.936200       1.333200      2.7999999E-03
 H   -3.518100       1.898400      0.8920000    
 H   -3.516300       1.905100     -0.8791000    
 H   0.5543000      -2.447600      1.0000000E-03
 H    4.717300      0.4462000       1.311300    
 H    5.129600      -1.278100       1.256900    
 H    3.710300     -0.7318000       2.168400    
 H    3.708100     -0.7302000      -2.170300    
 H    5.128100      -1.277200      -1.260700    
 H    4.716000      0.4471000      -1.313400    


%chk=000049721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049721

0 1
O 1.073896 2.031043 0.001493
N -1.157445 1.097947 -0.000919
N -1.248844 -1.347789 -0.003403
N 2.451449 1.444244 0.001405
C -3.371163 -0.068668 -0.001688
C -1.840772 -0.092887 -0.003396
C -3.866631 -0.827524 1.266943
C -3.869646 -0.819474 -1.273917
C -3.911285 1.379594 0.003510
C 3.520861 -0.801878 -0.000503
C 2.300784 0.103268 -0.000128
C 0.901603 -0.265726 -0.001188
C 0.179477 0.958532 -0.000234
C 0.105493 -1.437152 -0.002651
C 4.369451 -0.590404 1.281743
C 4.371133 -0.587072 -1.281068
H 3.146701 -1.844822 -0.002091
H -4.970872 -0.872418 1.261833
H -3.468339 -1.856017 1.286340
H -3.548896 -0.307424 2.189248
H -3.471750 -1.847927 -1.300590
H -4.973891 -0.863933 -1.266638
H -3.553730 -0.293732 -2.193646
H -5.016621 1.357901 0.004687
H -3.568062 1.934620 0.893243
H -3.570087 1.940180 -0.883522
H 0.534918 -2.445132 -0.003256
H 4.759733 0.441399 1.317938
H 5.224574 -1.289740 1.290464
H 3.772782 -0.762827 2.195340
H 3.775762 -0.757495 -2.195886
H 5.226486 -1.286124 -1.290299
H 4.761132 0.444939 -1.314265


