计算分子静电势（电子云分布）时出现失败，不知道该如何调整。

924555681

在Surfaces and Contours上计算分子静电势（电子云分布）时出现失败，不知道该如何调整，请各位大佬帮忙。

Executing Formchk =>
"c:\g09\g09\formchk.exe" /3 "C:\Users\924555681\Desktop\OPT 0.chk" "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\ajxy8.fch"
Read checkpoint file C:\Users\924555681\Desktop\OPT 0.chk
Write formatted file c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\ajxy8.fch
Coordinates translated and rotated.
Coordinates match /B/ after translation and rotation.
Rotating derivatives, DoTrsp=T IDiff= 2 LEDeriv=    773 LFDPrp=       0 LDFDPr=       0.
Formchk Job Completed (PID = 4d38, status = 0)
Executing Gaussian Cubegen =>
"c:\g09\g09\cubegen.exe" 0 fdensity=scf "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\ajxy8.fch" "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\qnvn6.cub" -2 h
Cubegen Job Completed (PID = f64, status = 0)
Executing Gaussian Cubegen =>
"c:\g09\g09\cubegen.exe" 0 potential=scf "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\ajxy8.fch" "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\arraymxgu3.out" -5 n
String too long in BldStr.
Error termination via Lnk1e at Wed Nov 03 14:29:28 2021.
Cubegen Job Completed (PID = 1df0, status = 2057)
Executing Formchk =>
"c:\g09\g09\formchk.exe" /3 "C:\Users\924555681\Desktop\OPT 50.chk" "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\an1nl.fch"
Read checkpoint file C:\Users\924555681\Desktop\OPT 50.chk
Write formatted file c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\an1nl.fch
Formchk Job Completed (PID = 2e10, status = 0)
Executing Gaussian Cubegen =>
"c:\g09\g09\cubegen.exe" 0 density=scf "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\an1nl.fch" "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\lhvby.cub" -2 h
Cubegen Job Completed (PID = 2948, status = 0)
Executing Gaussian Cubegen =>
"c:\g09\g09\cubegen.exe" 0 potential=scf "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\an1nl.fch" "c:\g09\g09\Scratch\gv-11_3_2021_14_27_38\arrayh3y7q.out" -5 n
String too long in BldStr.
Error termination via Lnk1e at Wed Nov 03 14:32:02 2021.
Cubegen Job Completed (PID = 22a0, status = 2057)

924555681

好的，谢谢老师

snljty

静电势和电子云分布是两码事。
没必要用Gaussian算静电势，又麻烦又慢，尤其是G09只能单核。用Multiwfn载入波函数即可。
看卢老师博文
《使用Multiwfn+VMD快速地绘制静电势着色的分子范德华表面图和分子间穿透图（含视频演示）》
http://bbs.keinsci.com/thread-11080-1-1.html
《巨大体系的范德华表面静电势图的快速绘制方法》
http://bbs.keinsci.com/thread-13140-1-1.html
《Multiwfn的计算静电势的内部代码速度得到了巨幅提升！》
http://bbs.keinsci.com/thread-18414-1-1.html
《巨幅降低Multiwfn结合VMD绘制分子表面静电势图耗时的一个关键技巧》
http://bbs.keinsci.com/thread-23859-1-1.html
等博文。