%chk=000030273.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030273

0 1
 O   0.3940000      -1.085700      0.9510000    
 O  -0.1428000       1.419300       1.590900    
 N    2.890700     -0.4773000     -0.2688000    
 C    2.701800      -1.626200      0.6043000    
 C    1.269000      -2.128800      0.5274000    
 C   -1.281600       2.686900     -0.1139000    
 C   -1.536900      0.1266000      0.2072000    
 C  -0.8460000      -1.050300      0.3863000    
 C  -0.9217000       1.415800      0.6404000    
 C  -0.1372000       3.700600     -0.1168000    
 C   -2.790400      0.1726000     -0.3623000    
 C   -1.438200      -2.244200     -2.5400000E-02
 C    2.563400     -0.8204000      -1.654800    
 C    4.266400      1.8600000E-02 -0.1824000    
 C    1.099000       3.143400     -0.8037000    
 C   -3.382900      -1.021300     -0.7739000    
 C   -2.706800      -2.229600     -0.6055000    
 H    2.905900      -1.322300       1.638800    
 H    3.391200      -2.442900      0.3557000    
 H    1.157900      -2.963700       1.230600    
 H    1.047600      -2.515600     -0.4738000    
 H   -2.161500       3.128400      0.3665000    
 H   -1.534200       2.448500      -1.153000    
 H   0.1175000       3.993500      0.9082000    
 H  -0.4641000       4.606300     -0.6402000    
 H   -3.348100       1.095000     -0.4868000    
 H  -0.9673000      -3.211900      0.1194000    
 H    3.079200      -1.725500      -1.995600    
 H    2.851800     -2.0999999E-03  -2.326300    
 H    1.486200     -0.9372000      -1.806400    
 H    4.996700     -0.7277000     -0.5156000    
 H    4.508400      0.3034000      0.8477000    
 H    4.389600      0.9205000     -0.7923000    
 H    1.529400       2.300900     -0.2557000    
 H    1.869700       3.918400     -0.8699000    
 H   0.8696000       2.811200      -1.821300    
 H   -4.373400      -1.011100      -1.219500    
 H   -3.172700      -3.159900     -0.9173000    


%chk=000030273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030273

0 1
O 0.563357 -1.055533 0.117659
O 0.672296 1.639636 -0.738536
N 3.454658 -1.899364 -0.749534
C 2.663240 -2.263376 0.445511
C 1.163538 -2.406539 0.171668
C -0.922409 2.780938 0.711097
C -1.333177 0.384876 -0.221609
C -0.796931 -0.944035 -0.158712
C -0.443337 1.599868 -0.146696
C -0.151720 4.092398 0.456299
C -2.728681 0.535732 -0.426130
C -1.650950 -2.064656 -0.325595
C 4.854975 -2.360842 -0.658310
C 3.378432 -0.459404 -1.098985
C -0.498197 4.734973 -0.904930
C -3.579430 -0.576967 -0.600412
C -3.031359 -1.876965 -0.550976
H 2.805054 -1.551176 1.297520
H 3.014709 -3.255193 0.791910
H 0.676073 -2.979981 0.988313
H 1.013367 -2.922989 -0.796316
H -0.798070 2.454761 1.766818
H -2.011496 2.934566 0.584820
H 0.932384 3.878316 0.491412
H -0.375320 4.804049 1.274751
H -3.151045 1.544224 -0.489525
H -1.248837 -3.080108 -0.281369
H 5.437992 -1.866160 0.160961
H 5.371718 -2.145551 -1.610946
H 4.887535 -3.453458 -0.493471
H 3.909061 0.187135 -0.354629
H 2.332837 -0.120937 -1.146008
H 3.848316 -0.300832 -2.086663
H -0.237450 4.054170 -1.734168
H 0.062099 5.676004 -1.053361
H -1.577678 4.970902 -0.974484
H -4.649384 -0.430331 -0.777968
H -3.676971 -2.751950 -0.686206


