%chk=000039816.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039816

0 1
 O   -2.728200      0.2462000       1.037400    
 O   -2.084300      0.1224000      -1.282200    
 O   0.1248000       2.007000     -0.8631000    
 O  -0.2206000       2.110600       1.415800    
 N    3.297900      0.2069000     -0.3223000    
 C   -2.766100      0.8903000     -0.2600000    
 C   -2.081600       2.251600     -0.1426000    
 C   -4.227800       1.054200     -0.6744000    
 C    1.869400      0.3939000     -0.5278000    
 C   -2.025400     -0.8859000      0.7554000    
 C   -1.657900     -0.9566000     -0.5688000    
 C    1.532900       1.871800     -0.6454000    
 C    3.629000      -1.218400     -0.2507000    
 C    3.740300      0.8901000      0.8958000    
 C  -0.6369000       2.117800      0.2655000    
 C   -1.694000      -1.877800       1.655000    
 C  -0.9386000      -2.023300      -1.066900    
 C    3.179900      -1.949900      -1.504300    
 C    5.242100      0.7597000       1.083800    
 C  -0.9652000      -2.969200       1.176500    
 C  -0.5897000      -3.041400     -0.1767000    
 H   -2.127300       2.806100      -1.088100    
 H   -2.570600       2.873800      0.6170000    
 H   -4.714700      7.5499997E-02 -0.7564000    
 H   -4.312000       1.539900      -1.652100    
 H   -4.788700       1.633000      6.6799998E-02
 H    1.284700     -6.3500002E-02  0.2807000    
 H    1.524800     -6.5899998E-02  -1.460200    
 H    2.033700       2.307300      -1.517900    
 H    1.807900       2.484900      0.2156000    
 H    3.186600      -1.697200      0.6320000    
 H    4.713200      -1.360600     -0.1977000    
 H    3.217600      0.5217000       1.787400    
 H    3.573200       1.967800      0.8344000    
 H   -1.985000      -1.817900       2.697500    
 H  -0.6499000      -2.074100      -2.110500    
 H    3.639900      -2.944400      -1.530800    
 H    3.489800      -1.425300      -2.414600    
 H    2.099300      -2.109800      -1.535400    
 H    5.578000       1.461200       1.856100    
 H    5.789400       1.000200      0.1658000    
 H    5.536500     -0.2382000       1.423100    
 H  -0.6843000      -3.770200       1.854800    
 H  -2.1400001E-02  -3.897100     -0.5311000    


%chk=000039816-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039816

0 1
O -2.111880 0.224209 0.921508
O -2.744698 0.262202 -1.397930
O -0.013171 1.386840 -1.010085
O 0.110913 3.078123 0.591654
N 3.316454 0.101717 0.263228
C -2.814541 1.057198 -0.119454
C -2.079485 2.398778 -0.299009
C -4.280893 1.210815 0.277483
C 1.841035 0.221930 0.191651
C -1.809547 -1.011240 0.302331
C -2.175197 -0.983543 -1.061237
C 1.471254 1.201325 -0.938303
C 3.797531 -1.279274 0.526592
C 3.933829 1.126800 1.150459
C -0.562038 2.336568 -0.160593
C -1.212251 -2.129224 0.888352
C -1.957527 -2.075726 -1.904563
C 3.620646 -2.218454 -0.681656
C 5.372589 1.492781 0.739366
C -0.986148 -3.252853 0.042456
C -1.350293 -3.225544 -1.324053
H -2.338295 2.780351 -1.303761
H -2.441033 3.121730 0.450077
H -4.763222 0.220407 0.320080
H -4.814181 1.832953 -0.462022
H -4.356117 1.687148 1.269665
H 1.397746 0.576686 1.150020
H 1.392698 -0.761866 -0.028196
H 1.743843 0.790997 -1.921495
H 1.946321 2.185860 -0.784390
H 3.297688 -1.721997 1.425677
H 4.874470 -1.215075 0.767260
H 3.917802 0.795310 2.219334
H 3.306302 2.036118 1.101335
H -0.934036 -2.136948 1.945580
H -2.238034 -2.042761 -2.960532
H 4.024034 -3.222494 -0.451557
H 4.156309 -1.813509 -1.558022
H 2.557090 -2.342073 -0.956727
H 5.776943 2.275677 1.408030
H 5.386981 1.870187 -0.297993
H 6.052693 0.623184 0.793677
H -0.525471 -4.152386 0.463848
H -1.166411 -4.103730 -1.951684


