%chk=000030281.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030281

0 1
 O  -0.4863000      0.5005000      0.9265000    
 O    2.357000      -1.928600       1.641400    
 N   -3.887400     -4.5899998E-02 -0.3849000    
 C    1.464600      -1.558300      0.5811000    
 C    1.715600     -0.1314000      0.2199000    
 C    1.660200      -2.557000     -0.5781000    
 C   0.7355000      0.8380000      0.4056000    
 C   -2.688900     -0.2823000      0.4191000    
 C   -1.623200      0.7579000      0.1127000    
 C    2.953500      0.2299000     -0.3118000    
 C   0.7171000      -2.306700      -1.745400    
 C   0.9795000       2.164700      6.5700002E-02
 C    3.204400       1.558600     -0.6548000    
 C    2.217500       2.525900     -0.4661000    
 C   -4.416500       1.293800     -0.1317000    
 C   -4.902600      -1.058900     -9.9200003E-02
 H   0.4552000      -1.699000      0.9810000    
 H    2.696200      -2.550300     -0.9379000    
 H    1.495400      -3.572500     -0.1952000    
 H   -2.277200      -1.276200      0.2009000    
 H   -2.912000     -0.2762000       1.494700    
 H   -1.952000       1.771500      0.3597000    
 H   -1.360500      0.7196000     -0.9532000    
 H    3.740400     -0.5042000     -0.4603000    
 H  -0.3265000      -2.320400      -1.415400    
 H   0.8419000      -3.087300      -2.502600    
 H   0.9148000      -1.343600      -2.225500    
 H   0.2237000       2.930400      0.2156000    
 H    4.169000       1.840400      -1.066600    
 H    2.413900       3.560700     -0.7307000    
 H    3.217700      -2.161000       1.253500    
 H   -3.795000       2.071400     -0.5862000    
 H   -4.538600       1.503000      0.9374000    
 H   -5.399400       1.410500     -0.6050000    
 H   -5.778900     -0.9194000     -0.7422000    
 H   -5.233000      -1.031100      0.9456000    
 H   -4.516300      -2.062000     -0.3123000    


%chk=000030281-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030281

0 1
O -0.679303 -0.080253 -0.119867
O 1.809315 -1.774420 1.964703
N -4.349317 0.600425 -0.061079
C 1.531551 -1.726272 0.500483
C 1.706994 -0.304063 -0.029082
C 2.374563 -2.791139 -0.236012
C 0.575475 0.522006 -0.299262
C -3.078629 -0.155615 0.035077
C -1.883919 0.747484 -0.301995
C 2.993882 0.254989 -0.210793
C 1.987611 -2.948051 -1.722940
C 0.740477 1.862893 -0.727076
C 3.173567 1.592736 -0.631731
C 2.039886 2.393249 -0.887694
C -4.617200 1.438493 1.126918
C -5.504654 -0.256555 -0.397513
H 0.467444 -2.002581 0.444712
H 3.453900 -2.548123 -0.153880
H 2.226379 -3.747826 0.299459
H -3.101410 -0.984963 -0.694393
H -2.919580 -0.609959 1.043095
H -1.834549 1.626315 0.372026
H -1.958922 1.101527 -1.348524
H 3.877503 -0.369156 -0.025868
H 0.917959 -3.209831 -1.827278
H 2.580011 -3.748253 -2.202493
H 2.161172 -2.011740 -2.283476
H -0.127218 2.494090 -0.939535
H 4.181342 2.000650 -0.761861
H 2.159776 3.431118 -1.218060
H 2.703680 -1.374781 2.123122
H -3.771460 2.121302 1.317922
H -4.789750 0.837105 2.055381
H -5.513622 2.058308 0.947187
H -6.399726 0.373941 -0.547350
H -5.746120 -1.011372 0.393077
H -5.308304 -0.797181 -1.340098


