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lxc1109

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[求助] 追踪IRC 出现Error termination in NtrErr: NtrErr Called from FileIO已有1人参与

刚接触高斯，打算学下过渡态计算，先找个结构练练，得到过渡态，用过渡态计算完的log文件计算追踪IRC，总是有
下面的错误（Error termination in NtrErr: NtrErr Called from FileIO.）

Leave Link 1 at Thu Feb 21 11:02:36 2019, MaxMem=       0 cpu:    0.0
(Enter /home/jy/g09/l101.exe)
FileIO operation on non-existent file.
FileIO: IOper= 2 IFilNo(1)=-20502 Len=       100 IPos=          4 Q=       98060672

dumping /fiocom/, unit = 1 NFiles = 14 SizExt = 524288 WInBlk =    512
               defal = T LstWrd =    596480 FType=2 FMxFil=10000

Number          0       501       502       598       989       991       992       993
Base       180224    43520    72192    76800    44544    65536    65024    43008
End       596480    44520    76297    76802    64544    72098    65033    43208
End1       596480    44544    76800    77312    65024    72192    65536    43520
Wr Pntr    180224    43520    72192    76800    44544    65536    65024    43008
Rd Pntr    180224    43520    72192    76800    44544    72098    65033    43208
Length    416256    1000    4105       2    20000    6562       9       200

Number       994       995       996       997       998       999
Base       40448    42496    41472    41984    40960    77312
End       40478    42516    41672    42058    41160    179816
End1       40960    43008    41984    42496    41472    180224
Wr Pntr    40448    42496    41472    41984    40960    77312
Rd Pntr    40478    42516    41672    42055    41160    79816
Length       30       20       200       74       200    102504

dumping /fiocom/, unit = 2 NFiles =    1 SizExt =       0 WInBlk =    512
               defal = F LstWrd =    65536 FType=2 FMxFil=10000

Number          0
Base       40448
End       65536
End1       65536
Wr Pntr    40448
Rd Pntr    40448
Length    25088

dumping /fiocom/, unit = 3 NFiles =    1 SizExt = 524288 WInBlk =    512
               defal = T LstWrd =    65536 FType=2 FMxFil=10000

Number          0
Base       40448
End       65536
End1       65536
Wr Pntr    40448
Rd Pntr    40448
Length    25088
Error termination in NtrErr:
NtrErr Called from FileIO.

输入文件
%chk=liu-ir.chk
#p irc=calcfc rpm6 scrf=(iefpcm,solvent=toluene) guess=tcheck
geom=(connectivity,allcheck) genchk

Title Card Required

0 1
Pd                2.07078200 -0.08542800 -0.27616000
P                2.26602200 -0.78895600 1.84871700
C                1.66601800 -2.58153300 1.66550200
C                4.09427600 -1.03722400 2.28949300
O                3.55739600 -1.22196700 -0.27590200
C                3.39874400 -2.27739700 -1.24829700
O                2.61028800 -1.86676000 -2.28970800
C                4.81554600 -2.58527200 -1.73827800
C                -3.60515700 1.53161600 -0.39552100
C                -2.27892400 1.56717400 -0.92837700
C                -1.53239600 0.38408600 -0.99689300
C                -2.13380400 -0.84220300 -0.54521300
C                -3.41192400 -0.85565700 -0.03966300
C                -4.16219100 0.34884100 0.04219100
C                -0.17693500 0.17406900 -1.48744500
C                0.23800000 -1.11582500 -1.42311100
S                -0.99882800 -2.14941500 -0.77521900
S                -4.30705100 3.12898200 -0.42253000
C                -2.86578700 3.83397400 -1.14732300
C                -1.90143400 2.91045300 -1.34827600
C                -4.25308900 -1.98544900 0.48726100
N                -5.49464100 -1.36720700 0.86690400
C                -5.50828100 0.05250100 0.62227500
O                -6.44506800 0.77156300 0.86115500
O                -4.01774800 -3.16114800 0.60013200
C                -6.62941300 -2.10730400 1.44681200
H                4.55397000 -0.09374700 2.59992900
H                4.19055000 -1.75551500 3.11003200
H                0.58345900 -2.61880200 1.49587600
H                4.67140600 -1.42985900 1.43295500
H                2.15954200 -3.10857200 0.83344800
H                1.87651500 -3.14565800 2.58162800
H                2.93020100 -3.13090900 -0.69162300
H                4.80982300 -3.45090800 -2.40878100
H                5.49342500 -2.78464000 -0.90452000
H                5.21395600 -1.73446100 -2.30381400
H                0.36227100 0.99422600 -1.96148800
H                -2.84486700 4.88930200 -1.37319900
H                -0.92879200 3.10317900 -1.78646200
H                -6.51556400 -2.20570600 2.54082200
H                -7.57679200 -1.57716500 1.24131600
H                -6.68985900 -3.12047400 1.01061000
C                4.55692500 1.36038800 0.25583700
C                5.26834700 2.51336000 0.60813400
C                4.59110200 3.62836400 1.11719900
C                3.19970800 3.60024200 1.26402500
C                2.47744200 2.45271300 0.91037900
C                3.17613800 1.34312400 0.43397800
H                1.39134500 2.43657800 1.00873100
H                5.06676900 0.48098200 -0.15339100
H                6.35029800 2.54346300 0.48140900
H                5.14829500 4.52169800 1.39433600
H                2.67450200 4.47311700 1.65070800
H                1.41337200 -1.67646500 -1.96383800

1 2 1.0 5 1.0 48 1.0
2 3 1.0 4 1.0
3 29 1.0 31 1.0 32 1.0
4 27 1.0 28 1.0 30 1.0
5 6 1.0
6 7 1.0 8 1.0 33 1.0
7
8 34 1.0 35 1.0 36 1.0
9 10 1.5 14 2.0 18 1.0
10 11 1.5 20 1.0
11 12 1.5 15 1.0
12 13 2.0 17 1.0
13 14 1.5 21 1.0
14 23 1.0
15 16 2.0 37 1.0
16 17 1.0
17
18 19 1.0
19 20 2.0 38 1.0
20 39 1.0
21 22 1.0 25 2.0
22 23 1.0 26 1.0
23 24 2.0
24
25
26 40 1.0 41 1.0 42 1.0
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43 44 1.5 48 1.5 50 1.0
44 45 1.5 51 1.0
45 46 1.5 52 1.0
46 47 1.5 53 1.0
47 48 1.5 49 1.0
48
49
50
51
52
53
54
  请高手指点下下想追踪IRC为什么运行不了吗？

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