Does anyone have Gaussian script with RECP basis set?
Thank you Amy. I appreciate it.
This might help as an example
%chk=indane.chk
%NProcShared=4
%MEM=1GB
# gen pseudo=read B2PLYPD opt=tight integral=(grid=ultrafine)
indane B2PLYPD/aug-pVTZ
0 1
In
H 1 r
H 1 r 2 120.0
H 1 r 2 120.0 3 180.0
r 1.75
H 0
aug-cc-pvtz
****
In 0
S 9 1.00
2378.0400000 0.0000920
360.9980000 0.0004790
45.6335000 0.0125760
28.5149000 -0.0884220
17.8220000 0.2522560
6.6299000 -0.7190570
1.7095400 0.8596060
0.7984450 0.4740660
0.0435410 0.0017710
2378.0400000 0.0000280
360.9980000 0.0001990
45.6335000 0.0018350
28.5149000 -0.0201770
17.8220000 0.0720460
6.6299000 -0.2449900
1.7095400 0.3932400
0.7984450 0.3284130
0.0435410 -0.2018870
S 1 1.00
0.2047370 1.0000000
0.0966770 1.0000000
0.0518000 1.0000000
0.0180000 1.0000000
P 9 1.00
266.9020000 0.0001080
14.7312000 0.0736840
8.8277900 -0.2642980
2.3595300 0.4947510
1.1759100 0.4936840
0.5675680 0.1638510
0.2129400 0.0100830
0.0828070 -0.0002200
0.0320770 0.0001980
266.9020000 -0.0000320
14.7312000 -0.0152100
8.8277900 0.0579220
2.3595300 -0.1300470
1.1759100 -0.1371410
0.5675680 -0.0287310
0.2129400 0.3016610
0.0828070 0.5566390
0.0320770 0.2912400
P 1 1.00
0.2640000 1.0000000
0.0416000 1.0000000
0.0124000 1.0000000
D 7 1.00
117.2790000 0.0002810
32.6865000 0.0024780
13.1906000 -0.0124390
4.0182100 0.1400700
2.1494800 0.3303050
1.0912600 0.3753580
0.5319410 0.2582690
D 1 1.00
0.2436870 1.0000000
0.0907000 1.0000000
0.0302000 1.0000000
F 1 1.00
0.2549000 1.0000000
0.0895000 1.0000000
IN 0
IN-ECP 4 28
g-ul potential
1
2 1.0000000 0.0000000
s-ul potential
2
2 15.3928220 281.1223500
2 8.0558640 61.9014700
p-ul potential
4
2 13.9286720 67.4621540
2 13.3472340 134.9492500
2 7.6141320 14.7461400
2 7.3183650 29.6392620
d-ul potential
2 14.0347150 35.4932540
2 14.5116160 53.1787730
2 5.5505500 9.1772810
2 5.0594150 12.3924100
f-ul potential
2 12.5390560 -13.7280780
2 12.5525610 -18.2068660
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