%chk=000127151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127151

0 1
 O    2.583500     -0.1581000     -0.8461000    
 O  -7.7699997E-02 -0.7826000     -0.1235000    
 O   -2.317100      0.3732000      -1.296500    
 N    3.712400      -2.587100      0.1124000    
 C    2.256600     -0.6388000      0.4634000    
 C   0.8413000     -0.1807000      0.7870000    
 C    2.362800      -2.165800      0.4960000    
 C    4.052000      -2.052900      -1.207200    
 C    3.911200     -0.5359000      -1.214000    
 C   0.6988000       1.321800      0.7142000    
 C   0.9300000       2.080500       1.850000    
 C   0.3404000       1.911600     -0.4870000    
 C   -1.330400      -1.049500      0.3571000    
 C   0.7988000       3.467600       1.782800    
 C   0.2092000       3.298600     -0.5540000    
 C   -2.448800     -0.4678000     -0.2331000    
 C   0.4385000       4.076600      0.5809000    
 C   -1.473200      -1.908800       1.443000    
 C   -3.720600     -0.7479000      0.2667000    
 C   -2.745000      -2.188800       1.942600    
 C   -3.868700      -1.608400       1.354600    
 C   -2.966400     -7.1999999E-03  -2.508200    
 C   -2.187900      0.5501000      -3.680800    
 H    2.959100     -0.1918000       1.180700    
 H   0.6238000     -0.4944000       1.816700    
 H    2.145100      -2.536600       1.503400    
 H    1.646300      -2.631500     -0.1913000    
 H    3.389800      -2.495800      -1.960900    
 H    5.079800      -2.331600      -1.460600    
 H    4.628200     -5.9099998E-02 -0.5348000    
 H    4.100100     -0.1480000      -2.220000    
 H    3.756700      -3.605300      8.8799998E-02
 H    1.213300       1.616100       2.790000    
 H   0.1858000       1.333800      -1.392800    
 H   0.9783000       4.073400       2.666200    
 H  -6.4800002E-02   3.773500      -1.491600    
 H   0.3380000       5.156700      0.5282000    
 H  -0.6123000      -2.388100       1.900500    
 H   -4.604700     -0.2971000     -0.1758000    
 H   -2.860800      -2.862400       2.786600    
 H   -4.858800      -1.825800       1.744200    
 H   -3.021700      -1.099300      -2.598600    
 H   -3.983200      0.3998000      -2.509600    
 H   -2.666500      0.2884000      -4.628500    
 H   -2.113600       1.640400      -3.611100    
 H   -1.164100      0.1616000      -3.682300    


%chk=000127151-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127151

0 1
O 2.546737 0.406738 -0.813438
O -0.201649 -0.317842 -0.106089
O -1.932157 -1.144484 -1.916515
N 3.429616 -2.314221 -0.918333
C 2.178897 -0.553792 0.241809
C 0.860658 -0.090191 0.896031
C 2.101287 -1.979949 -0.342648
C 3.806327 -1.371941 -1.998469
C 3.848699 0.046204 -1.404597
C 0.915345 1.356303 1.377722
C 1.255129 1.637085 2.723047
C 0.666623 2.425616 0.484430
C -1.527063 -0.429121 0.338279
C 1.352299 2.973041 3.174836
C 0.752988 3.759597 0.937312
C -2.465418 -0.875258 -0.647774
C 1.098420 4.038615 2.281236
C -1.973841 -0.146019 1.647265
C -3.826112 -1.025106 -0.297588
C -3.339698 -0.303758 1.988036
C -4.262775 -0.740912 1.019659
C -2.869054 -1.585544 -2.966855
C -2.040225 -1.790205 -4.232242
H 2.967776 -0.538372 1.028679
H 0.683463 -0.764361 1.763341
H 1.867220 -2.698590 0.465379
H 1.275977 -2.000951 -1.088379
H 3.083125 -1.376712 -2.850303
H 4.806666 -1.639981 -2.387199
H 4.638963 0.096283 -0.624920
H 4.036422 0.806750 -2.180318
H 3.488924 -3.296803 -1.213221
H 1.443619 0.811251 3.422371
H 0.413440 2.198106 -0.554996
H 1.615898 3.180766 4.218139
H 0.556933 4.583889 0.242167
H 1.165823 5.075820 2.629006
H -1.273971 0.230611 2.397656
H -4.552081 -1.366891 -1.041030
H -3.670428 -0.073051 3.006088
H -5.320858 -0.860770 1.275574
H -3.364340 -2.528059 -2.652294
H -3.649577 -0.810786 -3.117047
H -2.689281 -2.120304 -5.063886
H -1.542356 -0.850269 -4.524739
H -1.262890 -2.555834 -4.067479


