%chk=000028576.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028576

0 1
 O   0.9800000       3.644600     -0.1323000    
 N   5.4900002E-02   1.812700      0.8755000    
 C  -0.1688000      0.3740000      0.9999000    
 C    1.013900     -0.4393000      0.5322000    
 C    1.932800      0.1175000     -0.3682000    
 C    1.739500       1.512100     -0.8927000    
 C   -1.482700     -4.2700000E-02  0.3636000    
 C   0.9070000       2.420000     -1.7400000E-02
 C    1.194600      -1.756700      0.9804000    
 C    3.009400     -0.6566000     -0.8231000    
 C   -2.648900     -5.4400001E-02   1.125300    
 C   -1.516700     -0.4119000     -0.9788000    
 C    2.276000      -2.513700      0.5322000    
 C    3.182300      -1.964400     -0.3706000    
 C   -3.856000     -0.4377000      0.5408000    
 C   -2.723800     -0.7951000      -1.563300    
 C   -3.893400     -0.8081000     -0.8034000    
 H  -0.2460000      0.2114000       2.084200    
 H    2.719100       1.991700      -1.009200    
 H    1.258700       1.462400      -1.876400    
 H  -0.5138000       2.420600       1.457400    
 H   0.4900000      -2.199900       1.679800    
 H    3.719800     -0.2433000      -1.534800    
 H   -2.633600      0.2338000       2.172800    
 H  -0.6301000     -0.4001000      -1.604500    
 H    2.408500      -3.532700      0.8836000    
 H    4.021700      -2.555000     -0.7255000    
 H   -4.767000     -0.4471000       1.132100    
 H   -2.754000      -1.080200      -2.610900    
 H   -4.833500      -1.105500      -1.258800    


%chk=000028576-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028576

0 1
O 1.187800 3.627288 -1.106045
N -0.039980 1.877572 -0.202193
C -0.186653 0.608808 0.556724
C 0.977561 -0.339292 0.225952
C 2.239016 0.215904 -0.116025
C 2.415728 1.724504 -0.149328
C -1.567748 0.013081 0.279704
C 1.152036 2.495886 -0.535459
C 0.827668 -1.743582 0.306899
C 3.324084 -0.648066 -0.398057
C -2.437948 -0.307894 1.348003
C -1.990134 -0.230665 -1.052527
C 1.919407 -2.598584 0.039785
C 3.171712 -2.049579 -0.318694
C -3.712502 -0.866673 1.095388
C -3.263267 -0.782861 -1.307822
C -4.128474 -1.104231 -0.234066
H -0.136040 0.830534 1.647626
H 2.722744 2.091369 0.853739
H 3.213336 2.031058 -0.845971
H -0.893478 2.405311 -0.405737
H -0.147282 -2.169677 0.566706
H 4.293175 -0.218182 -0.678578
H -2.119193 -0.117922 2.380720
H -1.316528 0.011796 -1.882595
H 1.790910 -3.684682 0.102401
H 4.020332 -2.706808 -0.538183
H -4.377729 -1.110124 1.931097
H -3.581745 -0.965000 -2.340239
H -5.116909 -1.532888 -0.433324


