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专业: 理论和计算化学

[求助] 求助L914错误：Insufficient memory for a single shell combination in PrmRal

出错信息： Insufficient memory for a single shell combination in PrmRal called from PrmRaf:
LenV=    1159843 MaxCom=       -18
Error termination via Lnk1e in /public1/Gauss09.A02/g09/l914.exe at Tue May 31 17:06:25 2011.
Job cpu time:  0 days  7 hours 54 minutes 53.9 seconds.
请哪位帮我诊诊脉，开个方.谢谢啦

输入文件
%chk=_TD.chk
%mem=500MB
%nprocshared=8
#p td(nstates=10,direct) M062X/6-311G(d)  iop(5/13=1)

Title Card Required

0 2
C                1.10529100 0.00056500 -2.10559000
C                0.27421000 1.25162300 -1.73423800
C                1.03056100 2.02880600 -0.63206200
C                2.33583500 1.25467700 -0.31703000
C                2.38129800 0.00031400 -1.22725900
C                -1.05100300 0.76141900 -1.12626500
C                -1.05101900 -0.76077500 -1.12667700
C                0.27418500 -1.25067700 -1.73491500
C                -1.13056600 1.23403700 0.32287900
C                0.15299100 2.02475500 0.64245900
C                0.91538800 1.25398000 1.74746700
C                2.26432300 0.77507700 1.15476300
C                2.26430700 -0.77574000 1.15434200
C                2.33580900 -1.25454100 -0.31771000
C                1.03051900 -2.02847400 -0.63316100
C                -1.16635400 -0.00031200 1.21895200
C                0.08846400 -0.00056800 2.10866500
C                0.91536200 -1.25493700 1.74678700
C                0.15294700 -2.02509400 0.64136100
C                -1.13059400 -1.23417700 0.32221100
F                -2.11688200 -1.27411400 -1.90286900
F                1.30836100 -3.29626600 -1.03167000
F                3.42491200 -2.03535200 -0.51891400
F                3.30927700 -1.25775300 1.87022900
F                -0.11965900 3.29795600 1.04364900
F                -2.25675800 2.05925400 0.53305400
F                -2.11685700 1.27520200 -1.90217300
F                3.30930200 1.25667900 1.87091200
F                -2.25680400 -2.05948400 0.53194000
F                -0.11972800 -3.29850700 1.04186200
F                1.11984600 -2.03850100 2.83635600
F                3.49945400 0.00051200 -1.99282600
F                1.42942900 0.00091900 -3.42344300
F                0.07569100 2.03950600 -2.82746000
F                1.30842900 3.29680800 -1.02988300
F                3.42495500 2.03557400 -0.51781100
F                1.11989000 2.03694800 2.83746100
F                -2.29431700 -0.00052800 2.07424200
F                -0.22454300 -0.00092500 3.43565200
F                0.07565200 -2.03796600 -2.82856300
Na             -4.12370700 1.70778900 -0.96707600
Na             -4.12374600 -1.70720300 -0.96807600
Na             -4.49956300 -0.00056900 1.88098500
O                -4.85392500 0.00005000 -0.11646600

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