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Jldbaobei

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[交流] 【求助】Linux下运行IRC出问题（附输入文件）

我的输入文件如下
帮忙看看有什么问题吗
谢谢大家啦
%chk=/home/def/han-bao/ts2.chk
%mem=1500MB
nproc=4
# irc=(maxpoints=100,calcfc,stepsize=5) b3lyp gen pseudo=read

irc-ts2

0 1
Pd             -1.68246700 -0.08720700 -0.23572300
C                -0.39364200 0.69539300 1.25010800
C                0.73521000 0.91330900 0.33840900
H                -0.23853800 0.02180400 2.08603700
C                1.94375100 0.11091800 0.39930700
C                0.63085500 1.85821000 -0.69481900
C                2.96229100 0.29618600 -0.59395300
C                2.17198400 -0.86115800 1.40761700
C                1.64120600 2.02282800 -1.66720100
H                -0.24244100 2.50105000 -0.75412600
C                2.78401300 1.26162400 -1.62469100
C                4.14358000 -0.48939100 -0.53267000
C                3.33043300 -1.61143900 1.44070600
H                1.42589300 -1.02299200 2.17757600
H                1.50633700 2.76668900 -2.44817900
H                3.56787300 1.38881200 -2.36698000
C                4.32859400 -1.42646100 0.45965800
H                4.90621900 -0.33552800 -1.29271400
H                3.47556600 -2.34579100 2.22854500
H                5.23867500 -2.01957600 0.49134000
C                -2.44923600 1.70571500 2.28584000
H                -3.09126000 2.56658500 2.44581000
H                -2.72305100 0.78422000 2.79394200
C                -2.07187200 -2.18128900 0.25021300
C                -2.24398200 -1.97652900 -1.15441300
H                -1.24018800 -2.78648300 0.59702300
H                -2.93707300 -2.15184000 0.90962000
C                -3.21891300 -1.10881200 -1.65509700
H                -1.47831100 -2.35269000 -1.83181300
H                -4.11843300 -0.88913900 -1.08475100
H                -3.25017800 -0.87873900 -2.71542600
C                -1.33977800 1.79233300 1.51675700
H                -1.13457600 2.75653000 1.05274300

H 0
6-31g
****
C 0
6-31G(d)
****
Pd 0
lanl2dz
****

Pd 0
lanl2dz

--Link1--
%chk=/home/def/han-bao/ts2.chk
%NoSave
# opt(maxcyc=800) freq b3lyp gen pseudo=read iop(5/13=1)

运行出现错误
Symbolic Z-matrix:
End of file in GetChg.
Error termination via Lnk1e in /home/def/g03/l101.exe at Wed Apr  1 09:25:13 2009.
Job cpu time:  0 days  0 hours  0 minutes  2.8 seconds.
File lengths (MBytes):  RWF=    8 Int=    0 D2E=    0 Chk=    1 Scr=    1

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