%chk=000039840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039840

0 1
 O   -2.176500       3.085500      0.1608000    
 N   -3.734000     -0.8802000     -1.1900000E-02
 C   -2.986500       1.188200      -1.092800    
 C   -3.081800     -0.3342000      -1.197100    
 C   -2.168300       1.657000      0.1213000    
 C   -3.829800      -2.338000     -0.1025000    
 C   -5.063800     -0.2934000      0.1605000    
 C  -0.7284000       1.199500      0.1053000    
 C  -0.2390000      0.4637000       1.171900    
 C   7.4199997E-02   1.524800     -0.9757000    
 C   -2.459100      -2.968200     -0.2820000    
 C   -5.729300     -0.8041000       1.427200    
 C    1.911700      0.3608000      7.5999998E-02
 C    1.090500      4.1299999E-02   1.157200    
 C    1.403600       1.102500     -0.9906000    
 C    3.290400     -7.7799998E-02  6.0300000E-02
 C    4.286200      0.7319000      0.6063000    
 C    3.623500      -1.310600     -0.5006000    
 C    5.615400      0.3089000      0.5913000    
 C    4.952600      -1.733800     -0.5156000    
 C    5.948500     -0.9239000      3.0400001E-02
 H   -2.513600       1.554800      -2.014400    
 H   -3.962900       1.684200      -1.120400    
 H   -2.066300     -0.7198000      -1.325000    
 H   -3.637400     -0.5930000      -2.108200    
 H   -2.652800       1.330200       1.048600    
 H   -4.227700      -2.756400      0.8276000    
 H   -4.490300      -2.655600     -0.9191000    
 H   -5.012400      0.7888000      0.3044000    
 H   -5.712600     -0.4832000     -0.7036000    
 H  -0.8688000      0.2070000       2.018700    
 H  -0.2994000       2.111900      -1.809000    
 H   -2.070300      -2.845600      -1.297600    
 H   -1.730000      -2.568700      0.4313000    
 H   -2.527400      -4.047800     -0.1053000    
 H   -6.089600      -1.832400       1.325700    
 H   -5.058100     -0.7448000       2.290900    
 H   -6.607400     -0.1889000       1.654500    
 H   -3.104000       3.372100      0.2198000    
 H    1.470200     -0.5368000       1.996400    
 H    2.030900       1.362400      -1.840000    
 H    4.043900       1.695900       1.047600    
 H    2.859500      -1.954300     -0.9305000    
 H    6.390900      0.9393000       1.016400    
 H    5.212200      -2.693800     -0.9523000    
 H    6.983300      -1.253400      1.8800000E-02


%chk=000039840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039840

0 1
O -2.105123 2.952559 0.777879
N -4.081477 -0.889780 -0.157744
C -2.896071 1.247734 -0.843081
C -3.160306 -0.244890 -1.138328
C -2.096769 1.501952 0.463598
C -3.947457 -2.375818 -0.164073
C -5.500794 -0.477464 -0.362144
C -0.634955 1.101523 0.349516
C -0.143259 -0.068749 0.974268
C 0.266164 1.890393 -0.409316
C -2.688756 -2.887332 0.559725
C -6.353497 -0.608502 0.914646
C 2.114006 0.325648 0.064457
C 1.206870 -0.453636 0.832051
C 1.614592 1.509835 -0.547922
C 3.542701 -0.076435 -0.083946
C 4.572146 0.900436 -0.186623
C 3.917413 -1.448431 -0.125492
C 5.924174 0.520956 -0.325807
C 5.269143 -1.830018 -0.261983
C 6.281116 -0.847117 -0.363591
H -2.343994 1.693398 -1.693153
H -3.862971 1.788412 -0.774259
H -2.195978 -0.783174 -1.110075
H -3.550097 -0.345221 -2.183311
H -2.583001 0.928344 1.278867
H -4.834607 -2.792996 0.345692
H -3.969454 -2.773444 -1.211396
H -5.510086 0.580466 -0.681133
H -5.971717 -1.057897 -1.196260
H -0.815864 -0.671689 1.595456
H -0.096387 2.815422 -0.869709
H -1.758339 -2.536171 0.079751
H -2.686964 -2.540332 1.608361
H -2.670352 -3.993193 0.555462
H -6.402897 -1.652072 1.274689
H -5.923299 0.006884 1.724177
H -7.389891 -0.271658 0.724645
H -3.047892 3.257434 0.814253
H 1.569152 -1.345840 1.355324
H 2.286050 2.123327 -1.159633
H 4.314597 1.963839 -0.124709
H 3.141090 -2.220777 -0.080364
H 6.700086 1.291931 -0.393928
H 5.532181 -2.893327 -0.299347
H 7.330775 -1.142530 -0.470489


