%chk=000045052.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045052

0 1
 O  -0.1966000       1.716200      0.7221000    
 O   0.3423000      -1.286600       2.120100    
 N    1.195700      -1.381900     -5.4099999E-02
 C    2.487100      -1.948700      0.3080000    
 C   0.9908000      -1.133600      -1.479600    
 C   0.2098000      -1.092100      0.9054000    
 C   -1.050800     -0.5108000      0.4650000    
 C   -1.213100      0.8724000      0.3874000    
 C    3.504400     -0.8575000      0.5956000    
 C   0.3835000      -2.345200      -2.166100    
 C   -2.104000      -1.357100      0.1185000    
 C   -2.428600       1.409300     -3.6699999E-02
 C   -3.319600     -0.8202000     -0.3055000    
 C   -3.482000      0.5629000     -0.3831000    
 C   0.2727000       2.599800     -0.2940000    
 C    1.705700       2.920700     -2.6400000E-02
 C    2.702800       2.652300     -0.8767000    
 H    2.358700      -2.556100       1.210800    
 H    2.838400      -2.612800     -0.4887000    
 H   0.3398000     -0.2707000      -1.634900    
 H    1.952700     -0.8815000      -1.940200    
 H    3.691500     -0.2485000     -0.2940000    
 H    3.155500     -0.1907000       1.391000    
 H    4.455100      -1.298400      0.9105000    
 H    1.045700      -3.213600      -2.085200    
 H  -0.5799000      -2.631100      -1.741200    
 H   0.2334000      -2.137100      -3.230300    
 H   -1.995400      -2.436500      0.1864000    
 H   -2.573700       2.484600     -9.3900003E-02
 H   -4.140700      -1.479200     -0.5722000    
 H   -4.429400      0.9808000     -0.7108000    
 H   0.1492000       2.156200      -1.290100    
 H  -0.3125000       3.525500     -0.2554000    
 H    1.942000       3.404400      0.9177000    
 H    3.725000       2.911100     -0.6236000    
 H    2.520900       2.170200      -1.830800    


%chk=000045052-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045052

0 1
O 0.219559 1.352268 -0.155633
O 0.275056 -1.618934 2.095184
N 1.206565 -1.653713 -0.036552
C 2.420691 -2.315757 0.499091
C 1.145021 -1.421106 -1.496166
C 0.202547 -1.317779 0.856681
C -1.042087 -0.624665 0.333486
C -1.043605 0.732417 -0.097639
C 3.511133 -1.299328 0.900434
C 0.638360 -2.653012 -2.278555
C -2.279120 -1.302064 0.433708
C -2.255741 1.379952 -0.440546
C -3.493403 -0.670390 0.082456
C -3.475674 0.672131 -0.353423
C 0.260867 2.809201 -0.414974
C 1.688824 3.251196 -0.238024
C 2.365222 4.003292 -1.139846
H 2.118838 -2.903153 1.382936
H 2.800127 -3.012711 -0.271547
H 0.501807 -0.551534 -1.696575
H 2.161169 -1.145190 -1.837249
H 3.811362 -0.668516 0.043649
H 3.135593 -0.641951 1.702697
H 4.409181 -1.826523 1.272398
H 1.265052 -3.542105 -2.082642
H -0.400679 -2.893660 -1.992172
H 0.660254 -2.452765 -3.365988
H -2.279575 -2.330122 0.811570
H -2.261347 2.421905 -0.773529
H -4.439350 -1.215609 0.160997
H -4.410153 1.177777 -0.621127
H -0.103721 3.029834 -1.438468
H -0.402135 3.316281 0.318611
H 2.161502 2.943265 0.704055
H 3.390526 4.338159 -0.950265
H 1.913732 4.309408 -2.092032


