Subject: memory problems on gaussian computation

From: Jennifer Miller <[email-masked]>
Date: Mon, 24 May 1999 10:20:06 -0400

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
****