%chk=000055146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055146

0 1
 O   -3.227800     -0.9217000     -0.3410000    
 O   -2.461400     -0.2638000       1.721700    
 N    3.997400      -1.267600     -0.7763000    
 N   -1.103600      -1.425000      0.2383000    
 C    1.262900     -0.7934000      0.3255000    
 C    2.533800     -0.9945000       1.202700    
 C    1.555100      -1.534300      -1.012100    
 C   8.0899999E-02  -1.490400       1.036400    
 C    3.824500     -0.5676000      0.4947000    
 C    2.856400      -1.062700      -1.665800    
 C   0.8513000      0.6778000      0.1031000    
 C    1.134100       1.628100       1.078800    
 C   0.2005000       1.042000      -1.071100    
 C   0.7619000       2.957400      0.8778000    
 C  -0.1714000       2.371200      -1.272100    
 C   -2.283700     -0.8170000      0.6415000    
 C   0.1093000       3.329000     -0.2977000    
 C   -4.499700     -0.3315000     -5.0099999E-02
 C   -5.420500     -0.5358000      -1.234200    
 H    2.629300      -2.063300       1.446700    
 H    2.458600     -0.4945000       2.173500    
 H   0.7448000      -1.482400      -1.743900    
 H    1.659900      -2.609900     -0.8020000    
 H  -0.1055000      -1.042000       2.019600    
 H   0.2931000      -2.553500       1.199900    
 H    3.837800      0.5163000      0.3331000    
 H    4.677600     -0.8017000       1.141000    
 H    3.022800      -1.644400      -2.579400    
 H    2.793000     -1.1600000E-02  -1.968800    
 H    4.847000     -0.9369000      -1.232400    
 H   -1.111900      -1.900100     -0.6590000    
 H    1.619200       1.380900       2.015400    
 H  -6.2799998E-02  0.3408000      -1.852900    
 H   0.9752000       3.702500       1.638500    
 H  -0.6847000       2.660300      -2.184700    
 H  -0.1827000       4.363500     -0.4530000    
 H   -4.928100     -0.8076000      0.8388000    
 H   -4.369800      0.7402000      0.1372000    
 H   -6.403700     -9.5700003E-02  -1.045600    
 H   -4.996100     -8.0799997E-02  -2.135200    
 H   -5.545300      -1.603000      -1.445600    


%chk=000055146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055146

0 1
O -3.311294 -0.994600 -0.284635
O -2.422997 -0.207974 1.757840
N 4.024856 -1.345838 -0.766486
N -1.164065 -1.504327 0.245144
C 1.285466 -0.794942 0.251255
C 2.545316 -0.955620 1.164744
C 1.583925 -1.573597 -1.067732
C 0.093032 -1.496973 0.995200
C 3.845442 -0.527389 0.456046
C 2.917898 -1.163779 -1.732931
C 0.921794 0.693725 0.027596
C 0.844347 1.574855 1.140562
C 0.582760 1.222095 -1.245106
C 0.464129 2.924476 0.990358
C 0.199438 2.573826 -1.404200
C -2.290761 -0.841492 0.678831
C 0.142045 3.435703 -0.287733
C -4.598188 -0.328188 0.051165
C -5.549204 -0.605666 -1.109685
H 2.644205 -2.024416 1.439630
H 2.428256 -0.383850 2.103674
H 0.759914 -1.462649 -1.798840
H 1.656846 -2.649918 -0.814579
H -0.112946 -0.985920 1.951586
H 0.396415 -2.539536 1.223360
H 3.799708 0.568860 0.240692
H 4.707001 -0.701661 1.126783
H 3.104143 -1.811775 -2.609778
H 2.843342 -0.112126 -2.101555
H 4.946423 -1.204264 -1.199928
H -1.224745 -1.988246 -0.650646
H 1.066080 1.204969 2.148034
H 0.609424 0.582624 -2.132819
H 0.407810 3.573283 1.871769
H -0.056772 2.949963 -2.401499
H -0.155967 4.483282 -0.407981
H -4.971901 -0.738153 1.007344
H -4.409936 0.751823 0.191466
H -6.528468 -0.131819 -0.913692
H -5.147696 -0.197177 -2.053032
H -5.707372 -1.690288 -1.238923


