Hi, thanks for the help. Indeed the file .47 was written and I could use it with gennbo for further analysis. However, plotting NBOs becomes a problem as gennbo gives back the following: Basis functions are not specified in the expected form ; all NBO options that require the coefficients and exponents of these functions (including BEND,
NJC, NBCP, and PLOT/AOINFO) are disabled.
Is this a common problem when generating the .47 file with PSI4?