提示信息已经说明了为什么和解决办法了：
Actual scratch disk usage= 299581312 words. Not enough memory for best loop length:
LenScr= 11834412 LenERI= 5727590 MOrb= 27 NBasFn= 185
NDiv= 34225 NHalf= 51 MxRSFn= 100 RSMin= 100 GoodMem= 12572590 Increasing memory by up to 738178 words may improve performance.
Not enough memory to run at all: LenERI= 5727590
Increase memory by 738178 words.
The %Mem command controls the amount of dynamic memory to be used by Gaussian. By default, 256 MB (32MW) are used. This can be changed to n double-precision words by specifying:
%Mem=n
For example, the following command sets memory use to 320 million bytes:
%Mem=40000000
The value given to %Mem may also be followed by KB, KW, MB, MW, GB or GW (no intervening spaces) to denote other units. For example, the following command also sets the amount of dynamic memory to 1 GB:
%Mem=1GB
Even larger allocations may be needed for very large direct SCF calculations, at least 3N2 words, where N is the number of basis functions.
Warning: Requesting more memory than the amount of physical memory actually available on a computer system will lead to very poor performance.
If Gaussian is being used on a machine with limited physical memory, so that the default of 256 MB is not available, the default algorithms as well as the default memory allocation should be set appropriately during installation. See Efficiency Considerations for more details on using Gaussian efficiently.
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