Dear Eric,

I have a problem very similar to the one described by gost with G09W.

I use rev D of g09 (x64) and modified gaunbo accordingly (set INT = i8 and set BINDIR = /opt/nbo6/bin).

Here is the output:

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Running external command "gaunbo6 R"

input file "/work/giberger/Gau-20505.EIn"

output file "/work/giberger/Gau-20505.EOu"

message file "/work/giberger/Gau-20505.EMs"

fchk file "/work/giberger/Gau-20505.EFC"

mat. el file "/work/giberger/Gau-20505.EUF"

Writing Wrt12E file "/work/giberger/Gau-20505.EUF"

Gaussian matrix elements Version 1 NLab= 7 Len12L=8 Len4L=8

Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file.

Write OVERLAP from file 514 offset 0 to matrix element file.

Write CORE HAMILTONIAN ALPHA from file 515 offset 0 to matrix element file.

Write CORE HAMILTONIAN BETA from file 515 offset 67161 to matrix element file.

Write KINETIC ENERGY from file 516 offset 0 to matrix element file.

Write ORTHOGONAL BASIS from file 685 offset 0 to matrix element file.

Write DIPOLE INTEGRALS from file 518 offset 0 to matrix element file.

Array DIP VEL INTEGRALS on file 572 does not exist.

Array R X DEL INTEGRALS on file 572 does not exist.

Write ALPHA ORBITAL ENERGIES from file 0 offset 0 to matrix element file.

Write ALPHA MO COEFFICIENTS from file 10524 offset 0 to matrix element file.

Write ALPHA DENSITY MATRIX from file 0 offset 0 to matrix element file.

Write ALPHA SCF DENSITY MATRIX from file 10528 offset 0 to matrix element file.

Write ALPHA FOCK MATRIX from file 10536 offset 0 to matrix element file.

No 2e integrals to process.

Read Unf file /work/giberger/Gau-20505.EUF:

Label Gaussian matrix elements IVers= 1 NLab= 7 Version=AM64L-G09RevD.01

Title Title Card Required

NAtoms= 39 NBasis= 366 NBsUse= 366 ICharg= 0 Multip= 1 NE= 142 Len12L=8 Len4L=8

Label GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 7 LenBuf= 2000 N= 1000 1 1 1 1

Label OVERLAP NI= 0 NR= 1 NTot= 67161 LenBuf= 4000 N= -366 366 0 0 0

Label CORE HAMILTONIAN ALPHA NI= 0 NR= 1 NTot= 67161 LenBuf= 4000 N= -366 366 0 0 0

Label CORE HAMILTONIAN BETA NI= 0 NR= 1 NTot= 67161 LenBuf= 4000 N= -366 366 0 0 0

Label KINETIC ENERGY NI= 0 NR= 1 NTot= 67161 LenBuf= 4000 N= -366 366 0 0 0

Label ORTHOGONAL BASIS NI= 0 NR= 1 NTot= 133956 LenBuf= 4000 N= 366 366 0 0 0

Label DIPOLE INTEGRALS NI= 0 NR= 1 NTot= 201483 LenBuf= 4000 N= -366 366 3 0 0

Label ALPHA ORBITAL ENERGIES NI= 0 NR= 1 NTot= 366 LenBuf= 4000 N= 366 0 0 0 0

Label ALPHA MO COEFFICIENTS NI= 0 NR= 1 NTot= 133956 LenBuf= 4000 N= 366 366 0 0 0

Store file 524 Len= 133956.

Label ALPHA DENSITY MATRIX NI= 0 NR= 1 NTot= 67161 LenBuf= 4000 N= -366 366 0 0 0

Store file 528 Len= 67161.

Label ALPHA SCF DENSITY MATRIX NI= 0 NR= 1 NTot= 67161 LenBuf= 4000 N= -366 366 0 0 0

Label ALPHA FOCK MATRIX NI= 0 NR= 1 NTot= 67161 LenBuf= 4000 N= -366 366 0 0 0

Store file 536 Len= 67161.

External program failed.

Error termination via Lnk1e

***

Thanks for your help!

Gilles