Gaussian natural orbital parsing

[eimrek]

Hi cclib community, when I am trying to parse my gaussian ub3lyp calculation with pop=naturalorbitals enabled, I get the following error:

~/opt/cclib/cclib/parser/gaussianparser.py in natural_orbital_single_spin_parsing(inputfile, updateprogress_title)
   1513                                 atombasis.append(basisonatom)
   1514                             basisonatom = []
-> 1515                             atomname = "%s%s" % (parts[2], parts[1])
   1516                         orbital = line[11:20].strip()
   1517                         aonames.append("%s_%s" % (atomname, orbital))

IndexError: list index out of range

when I revert the "Elmar Neumann's example" change back to :12 in the following code

1507                    if base == 0:
1508                        # Changed below from :12 to :11 to deal with Elmar Neumann's example.
1509                        parts = line[:11].split()
1510                        # New atom.
1511                        if len(parts) > 1:
1512                            if i > 0:
1513                                atombasis.append(basisonatom)
1514                            basisonatom = []
1515                            atomname = "%s%s" % (parts[2], parts[1])
1516                        orbital = line[11:20].strip()

everything works.

Here's the log file g.log

[langner]

Thanks for the report. I'll try to get to this after we release v1.6.2, unless someone beats me to it.