I ran a Gold complex in Gaussian 09 with the following exact Route Section PBE0/LANL2DZ Opt Freq NoSymm
and
it gave me this error message:
QPErr --- A syntax error was detected in the input line.
#T PBE0/LANL2DZ Opt Freq NoSymm
May you kindly please assist me.
This was the input file:
#T PBE0/LANL2DZ Opt Freq NoSymm
au1i2se2pc4h10o2
0 1
Au 1.360814 1.469089 4.400746
C 5.307642 1.389607 6.843985
H 5.507275 1.229404 5.910229
H 4.870358 2.257890 6.915128
C 6.510720 1.389607 7.612332
H 7.089684 2.096802 7.304637
H 6.959811 0.547877 7.509174
H 6.306354 1.532993 8.538974
C 1.456104 -1.956071 7.162351
H 0.690196 -1.468381 7.503839
H 1.363535 -2.024224 6.198359
C 1.488953 -3.274870 7.738612
H 0.666753 -3.731582 7.532296
H 1.584937 -3.205832 8.690153
H 2.226021 -3.766101 7.374002
I 1.201101 1.134698 1.820913
I -0.420347 3.370638 4.490387
O 4.402687 0.338108 7.352659
O 2.673550 -1.232944 7.482496
P 3.034067 0.042485 6.682134
Se 3.109165 -0.249598 4.533606
Se 1.591287 1.649826 6.831890
#T
produces terse output (if you didn't know already), and you are right, definition wise. Related: PBE vs. PBEPBE functional Btw: I highly recommend not doing compound jobs. $\endgroup$