%chk=000044432.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044432

0 1
 O  -0.2471000      -1.343600      -1.534900    
 N   -1.367100      -1.581300      0.4852000    
 N   -4.182200      0.7075000     -0.3210000    
 C    2.301600      -1.503400     -0.1214000    
 C   0.9841000      -2.096100      0.4137000    
 C    2.353300      1.3000000E-02 -2.0700000E-02
 C    3.499400      -2.126600      0.6048000    
 C  -0.2522000      -1.623800     -0.3394000    
 C   -2.677800      -1.193300      1.7200001E-02
 C   -2.865600      0.3133000      0.1680000    
 C    1.733300      0.6334000       1.045500    
 C    3.019200      0.7255000     -0.9979000    
 C    1.780900       2.024400       1.138100    
 C    3.066800       2.116500     -0.9051000    
 C   -4.358200       2.156700     -0.2145000    
 C   -5.236000      1.1900000E-02  0.4194000    
 C    2.447600       2.765800      0.1630000    
 H    2.374300      -1.776500      -1.183500    
 H    1.010800      -3.186400      0.2798000    
 H   0.8728000      -1.940000       1.492200    
 H    3.484100      -1.894500       1.675700    
 H    4.445700      -1.753400      0.1977000    
 H    3.495500      -3.216300      0.4948000    
 H   -2.791900      -1.501800      -1.028200    
 H   -3.375900      -1.769400      0.6305000    
 H   -2.721300      0.6053000       1.217300    
 H   -2.087400      0.8269000     -0.4115000    
 H   -1.274800      -1.832000       1.465100    
 H    1.227400      9.4899997E-02   1.837800    
 H    3.505700      0.2281000      -1.831600    
 H    1.303800       2.530200       1.972500    
 H    3.586700       2.694000      -1.663900    
 H   -3.587700       2.681400     -0.7905000    
 H   -4.309400       2.504000      0.8240000    
 H   -5.323100       2.460200     -0.6357000    
 H   -5.117300      0.1046000       1.505200    
 H   -5.294700      -1.046900      0.1498000    
 H   -6.219200      0.4223000      0.1579000    
 H    2.486000       3.848800      0.2359000    


%chk=000044432-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044432

0 1
O -0.508959 -2.163205 -1.445995
N -1.168961 -1.651910 0.725426
N -3.953177 0.664401 -0.461219
C 2.247198 -1.489901 -0.247442
C 1.147307 -2.429580 0.342728
C 2.039419 -0.047024 0.222296
C 3.658813 -2.029779 0.087129
C -0.238306 -2.075611 -0.206485
C -2.527271 -1.232672 0.339624
C -2.569174 0.233582 -0.163321
C 2.277554 0.332264 1.570753
C 1.569952 0.940782 -0.680031
C 2.054783 1.658795 2.002224
C 1.344837 2.269988 -0.253177
C -4.026141 1.700324 -1.510785
C -4.714870 1.045414 0.744133
C 1.586531 2.634714 1.090885
H 2.115758 -1.516662 -1.346215
H 1.371130 -3.468418 0.034320
H 1.173945 -2.393825 1.449321
H 3.826880 -2.090223 1.178641
H 4.440682 -1.374907 -0.336802
H 3.794928 -3.044986 -0.329569
H -2.876790 -1.888467 -0.474838
H -3.195717 -1.371016 1.208321
H -2.068420 0.901786 0.583426
H -1.973178 0.280331 -1.091574
H -0.865736 -1.517575 1.690818
H 2.650818 -0.409202 2.288788
H 1.373129 0.661170 -1.722139
H 2.250856 1.933960 3.045242
H 0.983298 3.017965 -0.968191
H -3.522909 1.339148 -2.424529
H -3.555051 2.672517 -1.214205
H -5.084277 1.900090 -1.760813
H -4.302114 1.954356 1.253884
H -4.718693 0.218619 1.475904
H -5.764910 1.253302 0.470672
H 1.416937 3.664856 1.424093


