%chk=000081649.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081649

0 1
 O    3.727800      -1.534500     -1.5000000E-03
 O   -3.457100      -1.406400     -2.7999999E-03
 N  -0.9505000     -0.3910000      3.8000001E-03
 N   -4.423400      0.6797000     -2.9000000E-03
 C   0.4055000     -2.7000001E-03  2.4999999E-03
 C   -2.027700      0.5496000      3.4000000E-03
 C    1.408400     -0.9722000      1.8000000E-03
 C   0.7436000       1.350600      6.9999998E-04
 C    2.749400     -0.5885000     -6.9999998E-04
 C    2.084600       1.734300     -1.6000000E-03
 C    3.087500      0.7648000     -2.2000000E-03
 C   -3.348000     -0.1836000     -5.0000002E-04
 H   -1.148800      -1.385700      6.8999999E-03
 H   -1.998100       1.181100      0.8992000    
 H   -1.995200       1.183900     -0.8904000    
 H    1.151700      -2.029000      2.9000000E-03
 H  -5.1000002E-03   2.137000      1.2000001E-03
 H    2.348500       2.787900     -2.7999999E-03
 H    4.128500       1.076900     -4.1000000E-03
 H   -5.374900      0.3276000     -6.0999999E-03
 H   -4.310000       1.688400     -1.3000000E-03
 H    4.593900      -1.092000     -3.3000000E-03


%chk=000081649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081649

0 1
O 3.692457 -1.644545 -0.000847
O -3.385487 -1.446934 0.002914
N -0.943863 -0.314860 0.000946
N -4.517704 0.580132 -0.000931
C 0.396221 0.059169 0.000499
C -2.047364 0.620069 0.000736
C 1.403271 -0.949728 0.000049
C 0.791747 1.433297 0.000362
C 2.760872 -0.586574 -0.000485
C 2.162055 1.766231 -0.000241
C 3.165558 0.774443 -0.000665
C -3.366992 -0.181503 -0.000065
H -1.218436 -1.302032 0.001917
H -2.033463 1.285843 0.894349
H -2.032322 1.286466 -0.892307
H 1.137610 -2.012093 0.000047
H 0.040711 2.229104 0.000899
H 2.455027 2.822773 -0.000335
H 4.228393 1.046614 -0.001099
H -5.418197 0.101597 0.000060
H -4.495373 1.598506 -0.002303
H 4.615879 -1.289775 -0.001299


