%chk=000043361.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043361

0 1
 O  -0.6121000      0.8736000      1.8300001E-02
 O    1.747400      -1.104300      -1.824700    
 O  -0.6109000      8.9800000E-02  -2.148900    
 N   -4.050800      0.9420000      0.2776000    
 C   0.9246000      -1.631700      0.3413000    
 C  -6.4800002E-02  -2.658000     -0.2020000    
 C    2.147500      -2.490100      0.6489000    
 C    1.214300     -0.5045000     -0.6341000    
 C   0.1410000      -3.879600      0.6885000    
 C    1.561000      -3.765200       1.245700    
 C   -1.830800       1.559500     -0.2328000    
 C   -2.309600       2.269600       1.031000    
 C  -0.1038000      0.1686000      -1.036500    
 C   -2.923300      0.5461000     -0.5693000    
 C    2.234400      0.5460000     -0.1907000    
 C   -3.455900       1.404400       1.530200    
 C   -5.004600     -0.1384000      0.4779000    
 C    2.277700      0.9029000       1.137600    
 C    3.070100       1.093800      -1.136900    
 C   -5.628500     -0.5709000     -0.8381000    
 C    3.207800       1.860500       1.542100    
 C    4.000300       2.051300     -0.7322000    
 C    4.069100       2.434600      0.6073000    
 H   0.5080000      -1.249400       1.282800    
 H   0.1446000      -2.951300      -1.235500    
 H   -1.101400      -2.312100     -0.1594000    
 H    2.841100      -2.009600       1.345500    
 H    2.710400      -2.746700     -0.2560000    
 H  -0.5820000      -3.878600       1.512400    
 H  -2.0000001E-03  -4.809600      0.1288000    
 H    2.169000      -4.640400      0.9951000    
 H    1.524800      -3.692800       2.338900    
 H   -1.678700       2.295300      -1.032200    
 H   -2.690800       3.265300      0.7719000    
 H   -1.526000       2.382400       1.786500    
 H   -3.194800      0.6136000      -1.628100    
 H   -2.606000     -0.4810000     -0.3531000    
 H   -4.161000       1.981600       2.136400    
 H   -3.067700      0.5722000       2.131200    
 H    1.025600      -1.516200      -2.327300    
 H   -5.809100      0.2104000       1.136800    
 H   -4.541800      -1.005300      0.9662000    
 H    1.612100      0.4880000       1.885500    
 H    3.029500      0.8332000      -2.189400    
 H   -6.067600      0.2797000      -1.370600    
 H   -4.904200      -1.057900      -1.498800    
 H   -6.430600      -1.292400     -0.6487000    
 H    3.258900       2.162200       2.584200    
 H    4.668000       2.502300      -1.460700    
 H    4.792000       3.181600      0.9219000    


%chk=000043361-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043361

0 1
O -0.759479 0.825945 -0.121484
O 1.735157 -1.158226 -1.909297
O -0.350320 0.428585 -2.376658
N -4.112890 0.794304 0.377753
C 0.882671 -1.539838 0.356204
C -0.227017 -2.546222 -0.100396
C 2.098636 -2.423147 0.749961
C 1.239234 -0.466025 -0.719848
C 0.276007 -3.965927 0.314811
C 1.438627 -3.705265 1.309593
C -2.005596 1.604561 -0.488120
C -2.411746 2.369232 0.784074
C -0.030370 0.306212 -1.164389
C -3.173754 0.621182 -0.767593
C 2.302072 0.531467 -0.196125
C -3.333841 1.366985 1.506367
C -4.926311 -0.391375 0.709317
C 2.059711 1.333639 0.948957
C 3.556833 0.617408 -0.844424
C -5.895772 -0.776346 -0.423176
C 3.057302 2.208232 1.432151
C 4.553953 1.494542 -0.360336
C 4.309422 2.293489 0.779423
H 0.532676 -0.993619 1.252751
H -0.375382 -2.493592 -1.194177
H -1.191759 -2.303130 0.382734
H 2.771018 -1.923267 1.468765
H 2.682945 -2.666309 -0.156788
H -0.525724 -4.590226 0.749081
H 0.666764 -4.498611 -0.572149
H 2.141945 -4.554698 1.377993
H 1.040414 -3.516975 2.326748
H -1.747299 2.235334 -1.353144
H -2.987491 3.266316 0.495918
H -1.533778 2.680212 1.372835
H -3.670211 0.841798 -1.728669
H -2.768806 -0.417214 -0.829659
H -4.007493 1.846695 2.237957
H -2.721446 0.599758 2.044397
H 1.257926 -0.769790 -2.695849
H -5.507230 -0.155013 1.621414
H -4.275548 -1.272655 0.956585
H 1.090246 1.283533 1.455316
H 3.735946 -0.018012 -1.716172
H -6.554497 0.075055 -0.669160
H -5.353268 -1.068547 -1.340494
H -6.524293 -1.632968 -0.118724
H 2.857585 2.823751 2.316894
H 5.521776 1.550260 -0.871766
H 5.082852 2.972998 1.155099


