I am doing a NTO calculation, but calculation ends with:
(Enter /snufs/apps/Gaussian/g09/l9999.exe)
This type of calculation cannot be archived.
Job cpu time: 0 days 0 hours 8 minutes 3.5 seconds.
File lengths (MBytes): RWF= 550 Int= 0 D2E= 0 Chk= 1315 Scr= 2
Normal termination of Gaussian 09 at Fri Sep 30 17:00:18 2016.
My interest is to visualise HOMO and LUMO and its transition probability.
The l9999.exe error usually means a problem with convergence - either you're stuck at some point which is not minimum and gaussian can't deal with it or you have exceeded number of iterations or number of cycles and did not reach convergence.
It would be good, though, if you posted more lines of the output, particularly those above the l9999.exe line (like the last 15-20 lines) which have the exact description of the problem.
Dear Dr. Bartosz,
I have posted few initial line of this output file.
Thanks for kind response.
Electronic spatial extent (au): = -32.8439
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 10.2450 Y= -0.4998 Z= -1.4014 Tot= 10.3524
Quadrupole moment (field-independent basis, Debye-Ang):
XX= 52.2634 YY= -8.6520 ZZ= 0.5648
XY= -2.4800 XZ= -3.6063 YZ= -0.9311
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 37.5380 YY= -23.3774 ZZ= -14.1606
XY= -2.4800 XZ= -3.6063 YZ= -0.9311
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= 490.5156 YYY= -20.0395 ZZZ= -10.0158 XYY= 34.2473
XXY= -11.4126 XXZ= -14.0120 XZZ= 32.2564 YZZ= -0.8491
YYZ= 0.3644 XYZ= -4.0704
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= 2821.1880 YYYY= -315.0911 ZZZZ= 11.1484 XXXY= -218.2619
XXXZ= -156.1732 YYYX= -7.3976 YYYZ= -13.1451 ZZZX= -23.1599
ZZZY= -3.9882 XXYY= 56.6410 XXZZ= 205.8283 YYZZ= -6.9819
XXYZ= -32.6562 YYXZ= -3.5352 ZZXY= -21.0198
N-N= 4.298799553044D+03 E-N=-1.675948064031D+00 KE=-1.390774081840D-02
Leave Link 601 at Fri Sep 30 17:00:18 2016, MaxMem= 402653184 cpu: 17.0
(Enter /snufs/apps/Gaussian/g09/l9999.exe)
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