CCL: (Firefly): GUESS=MOREAD errors

tl;dr: How do I use GUESS=MOREAD to read in a $VEC group when I'm adding diffuse functions? The manual has been helpful, but not entirely so. How do I calculate the proper value for NORB?

I'm a new user of Firefly (formerly known as PC GAMESS, so any GAMESS(US) users are free to contribute).

I'm trying to use GUESS=MOREAD while changing the basis set to include diffuse functions:

$CONTRL SCFTYP=RHF RUNTYP=ENERGY MPLEVL=4 UNITS=ANGS $END

$SYSTEM TIMLIM=3600 MEMORY=36000000 $END

$SCF DIRSCF=.True. $END

$GUESS GUESS=MOREAD NORB=240 EXTRA=.T. $END

$EXTRAF

NEXTRA(1)=4,4,4,4,4,4,4,4,4,4 !DIFFSP for 10 C

NEXTRA(11)=1,1,1,1,1,1,1,1,1,1,1,1,1,1 !DIFFS for 14 H

$END

$BASIS GBASIS=DZV NPFUNC=1 NDFUNC=1 DIFFSP=1 DIFFS=1 $END

$ELMOM IEMOM=2 WHERE=COMASS $END

$MP4 SDTQ=.T. $END

$DATA

2,2,5,5-tetramethyl-3-hexyne RMP4/DZV(d,p)++//RMP2/DZV(d,p)

DNH 3

C_3 6.0 0.0000000000 0.0000000000 -0.6171527518

C_2 6.0 0.0000000000 0.0000000000 -2.0934695855

C_1A 6.0 1.4521398958 0.0000000000 -2.6001055211

H_1AA 1.0 1.9835899449 0.8863051714 -2.2440032755

H_1AC 1.0 1.4664232611 0.0000000000 -3.6950540786

$END

$VEC

1 1-7.05806381E-03-2.34618262E-04 4.28989286E-04 0.00000000E+00 0.00000000E+00

1 2-3.13369076E-04 0.00000000E+00 0.00000000E+00 5.72390159E-04 7.12360225E-06

etc.

I'm not sure how to figure out what goes after NORB=; here I assumed it was the number of orbitals listed in $VEC, which appears to be a 240 by 240 matrix. Anyway, I get the following error message.

* * * WARNING * * *

------------------------------------------------------------------------------

THE OVERLAP MATRIX HAS 12 EIGENVALUES BELOW 1.2E-03.

THE SMALLEST OF THESE IS 2.20132E-08.

THIS INDICATES A PARTIAL LINEAR DEPENDENCE IN YOUR ATOMIC BASIS.

TO OBTAIN SCF CONVERGENCE MAY REQUIRE

MORE ACCURATE INTEGRAL EVALUATION (INTTYP=HONDO, ICUT=11, ITOL=30 IN $CONTRL),

MORE ACCURATE DIRECT SCF FOCK MATRIX FORMATION (FDIFF=.FALSE. IN $SCF), OR

CHANGING CONVERGERS (DIIS=.T. SOSCF=.F. IN $SCF).

EIGENVALUES BELOW 1.0D-07 PROBABLY WON'T CONVERGE.

EIGENVALUES BETWEEN 1.0D-07 AND 1.0D-06 MAY REQUIRE

TIGHTENING OF -NCONV- DENSITY CONVERGENCE IN $SCF.

THE OVERALL DEGREES OF AOS LINEAR INDEPENDENCE ARE:

0.9427 - C 1 XY, SHELL 7, AO 17

0.9427 - C 2 XY, SHELL 14, AO 36

[I left out a long list of nearly linearly dependent orbitals.]

0.7648E-04 - C 9 S, SHELL 62, AO 162

0.1098E-04 - C 3 Z, SHELL 20, AO 51

0.1098E-04 - C 4 Z, SHELL 27, AO 70

0.3167E-06 - C 3 S, SHELL 20, AO 48

0.3167E-06 - C 4 S, SHELL 27, AO 67

0.1494E-06 - C 1 Z, SHELL 6, AO 13

0.1494E-06 - C 2 Z, SHELL 13, AO 32

0.2764E-07 - C 2 S, SHELL 13, AO 29

0.2764E-07 - C 1 S, SHELL 6, AO 10

YOU MAY CONSIDER DROPPING ONE OR MORE AOS, STARTING FROM THE END OF THIS LIST.

------------------------------------------------------------------------------

*** ERROR READING THE MO COEFFICIENTS AT 1 49

THE INPUT VALUES WERE 2 1

ADDRESS 0x0053D0BA HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)

CPU TIME: STEP = 0.03 , TOTAL = 0.4 SECONDS ( 0.0 MIN)

WALL CLOCK TIME: STEP = 0.04 , TOTAL = 0.4 SECONDS ( 0.0 MIN)

CPU UTILIZATION: STEP = 71.30%, TOTAL = 107.14%

506417 WORDS OF DYNAMIC MEMORY USED

1563406 BYTES OF HEAP MEMORY USED, 120095 BYTES REMAIN IN USE

EXECUTION OF FIREFLY TERMINATED ABNORMALLY AT 9:29:44 8-MAR-2016

Anyway, if I drop the AOs as suggested, it won't really be RMP4/DZV(d,p)++//RMP2/DZV(d,p), will it, but some unnameable subbasis thereof? And what does Firefly expect at "1 49"? Shouldn't there be 48 lines per orbital (each requiring 240 coefficients, and there are 5 coefficients per line, 240/5 = 48). I copied that part directly from the $VEC section of the PUNCH file for an HF/DZV(d,p) calculation, so there shouldn't be any errors there. But, as I've implied, NORB=240 could be wrong.

My input is based partially on the following example in the Firefly manual. I've tried to adapt it to my situation (C10H14 with an already converged DZV(d,p) wavefunction), but as you saw above, I'm not succeeding.

$CONTRL SCFTYP=RHF D5=.T. $END

$SYSTEM TIMLIM=1 MEMORY=500000 $END

$GUESS GUESS=MOREAD NORB=25 EXTRA=.T. $END

$EXTRAF NEXTRA(1)=10,4,4 $END

$DATA

RHF/aug-cc-pVDZ run that uses converged RHF/cc-pVDZ orbitals

CNV 2

O 8.0 0.0000000000 0.0000000000 0.7205815395

S 8

1 11720.00000 0.710000000E-03

2 1759.00000 0.547000000E-02

3 400.80000 0.278370000E-01

4 113.70000 0.104800000

5 37.03000 0.283062000

6 13.27000 0.448719000

7 5.02500 0.270952000

8 1.01300 0.154580000E-01

S 8

1 11720.0000 -0.160000000E-03

2 1759.0000 -0.126300000E-02

3 400.80000 -0.626700000E-02

4 113.70000 -0.257160000E-01

5 37.03000 -0.709240000E-01

6 13.27000 -0.165411000

7 5.02500 -0.116955000

8 1.01300 0.557368000

S 1

1 0.30230 1.000000000

P 3

1 17.70000 0.430180000E-01

2 3.85400 0.228913000

3 1.04600 0.508728000

P 1

1 0.27530 1.000000000

D 1

1 1.18500 1.000000000

S 1

1 0.07896 1.000000000

P 1

1 0.06856 1.000000000

D 1

1 0.33200 1.000000000

H 1.0 0.0000000000 0.7565140024 0.1397092302

S 3

1 13.01000 0.196850000E-01

2 1.96200 0.137977000

3 0.44460 0.478148000

S 1

1 0.12200 1.000000000

P 1

1 0.72700 1.000000000

S 1

1 0.02974 1.000000000

P 1

1 0.14100 1.000000000

$END

$VEC

---orbitals from a converged RHF/cc-pVDZ run---

$END