memory problems on gaussian computation
I have been trying to run an MP2 geometry optimization on HBr using
Gaussian 94 and cc-pVTZ basis set. The job requests 65MW of memory, which
is more than is available to me. I am unsure as to why this much memory is
requested, as there are only 64 basis functions. Any help would be
appreciated. The input file is included at the end of this message.
Thanks
-jen
%Mem=54MW
#P MP2=Stingy/Gen Opt gfinput IOP(6/7=3) 6D 10F
HBr geometry optimization using cc-pVTZ basis set
0 1
H 0.00 0.00 -1.360676
Br 0.00 0.00 0.038876
Br 0
S 18 1.00
10639000.00000000 0.00000590
1593400.00000000 0.00004610
362610.00000000 0.00024220
102700.00000000 0.00102260
33501.00000000 0.00371130
12093.00000000 0.01197850
4715.90000000 0.03469270
1955.60000000 0.08912390
852.61000000 0.19345570
387.67000000 0.32090190
182.68000000 0.32992330
88.24500000 0.14941210
39.26300000 0.01499380
19.23400000 -0.00091650
9.40570000 0.00043800
4.16010000 -0.00023980
1.89950000 0.00007360
0.30114000 0.00002390
S 18 1.00
10639000.00000000 -0.00000190
1593400.00000000 -0.00001450
362610.00000000 -0.00007610
102700.00000000 -0.00032100
33501.00000000 -0.00117090
12093.00000000 -0.00379680
4715.90000000 -0.01123070
1955.60000000 -0.02992770
852.61000000 -0.07127060
387.67000000 -0.14031360
182.68000000 -0.20307630
88.24500000 -0.09609850
39.26300000 0.35580860
19.23400000 0.59217920
9.40570000 0.22159770
4.16010000 0.01376480
1.89950000 0.00083950
0.30114000 -0.00000850
S 18 1.00
10639000.00000000 0.00000070
1593400.00000000 0.00000570
362610.00000000 0.00003030
102700.00000000 0.00012750
33501.00000000 0.00046590
12093.00000000 0.00150960
4715.90000000 0.00448520
1955.60000000 0.01198350
852.61000000 0.02895710
387.67000000 0.05815660
182.68000000 0.08881330
88.24500000 0.04452440
39.26300000 -0.20603870
19.23400000 -0.51270170
9.40570000 -0.15093490
4.16010000 0.67892030
1.89950000 0.58176970
0.30114000 -0.01118250
S 18 1.00
10639000.00000000 -0.00000020
1593400.00000000 -0.00000180
362610.00000000 -0.00000930
102700.00000000 -0.00003910
33501.00000000 -0.00014280
12093.00000000 -0.00046280
4715.90000000 -0.00137500
1955.60000000 -0.00367840
852.61000000 -0.00889810
387.67000000 -0.01795290
182.68000000 -0.02757320
88.24500000 -0.01409530
39.26300000 0.06725610
19.23400000 0.17669280
9.40570000 0.05288610
4.16010000 -0.30759550
1.89950000 -0.47006580
0.30114000 0.69803410
S 1 1.00
0.60472000 1.00000000
S 1 1.00
0.12515000 1.00000000
P 11 1.00
8676.50000000 0.00043570
2055.90000000 0.00378150
666.23000000 0.02047820
253.10000000 0.07928340
106.12000000 0.21784730
47.24200000 0.38785850
21.82500000 0.35943500
9.96840000 0.11219950
4.51710000 0.00438740
1.99820000 0.00178090
0.28145000 0.00021220
P 11 1.00
8676.50000000 -0.00017480
2055.90000000 -0.00152630
666.23000000 -0.00833990
253.10000000 -0.03322030
106.12000000 -0.09541800
47.24200000 -0.18240260
21.82500000 -0.15583080
9.96840000 0.18678990
4.51710000 0.54277330
1.99820000 0.38733090
0.28145000 -0.00437840
P 11 1.00
8676.50000000 0.00004510
2055.90000000 0.00039640
666.23000000 0.00215550
253.10000000 0.00867200
106.12000000 0.02486800
47.24200000 0.04854720
21.82500000 0.03961560
9.96840000 -0.06057490
4.51710000 -0.18716990
1.99820000 -0.13777570
0.28145000 0.57608960
P 1 1.00
0.70988000 1.00000000
P 1 1.00
0.10204000 1.00000000
D 6 1.00
403.83000000 0.00147320
121.17000000 0.01267250
46.34500000 0.05804510
19.72100000 0.17051030
8.86240000 0.31859580
3.99620000 0.38450230
D 1 1.00
1.76360000 1.00000000
D 1 1.00
0.70619000 1.00000000
F 1 1.00
0.55150000 1.00000000
****
H 0
S 5 1.00
33.87 0.006068
5.095 0.045308
1.159 0.202822
0.3258 0.503903
0.1027 0.383421
S 1 1.00
0.3258 1.00
S 1 1.00
0.1027 1.00
P 1 1.00
1.407 1.00
P 1 1.00
0.388 1.00
D 1 1.00
1.057 1.00
****