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gldou

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[交流] 【求助】菜鸟求助

本人一菜鸟，在优化过度态的时候总是得不到我想要的结构，而是优化到一个稳定结构上去了，我尝试了把步长改小了，还是不行，请哪位大侠指点迷津。多谢了！
下面把输入文件贴出：
%chk=F:\Program Files\g09w\result\basis set\2-1-TS.chk
# opt=(calcfc,ts,noeigen) freq b3lyp/3-21g geom=connectivity iop(1/8=2)

Title Card Required

0 1
C                -4.66734610 1.47452455 -2.39509457
C                -5.25395863 0.50085925 -3.20400313
C                -6.62292149 0.54473623 -3.46713279
C                -7.40614104 1.56195577 -2.92027989
C                -6.81968282 2.53508209 -2.11118847
C                -5.45011580 2.49161247 -1.84887860
H                -3.58794122 1.44000545 -2.18812508
H                -4.63643005 -0.30042189 -3.63510493
H                -7.08525725 -0.22232342 -4.10522500
H                -8.48550869 1.59631179 -3.12784070
H                -4.98796765 3.25899141 -1.21116576
C                -7.68367212 3.65786348 -1.50746301
C                -9.28271197 3.94806089 -1.77224809
C                -9.93532229 3.03974657 -2.60623627
C             -11.30134499 3.17593538 -2.85252136
C             -12.01563495 4.22013354 -2.26374586
C             -11.36321006 5.12791347 -1.42959096
C                -9.99656683 4.99212168 -1.18411848
H                -9.37209489 2.21719020 -3.07036740
H             -11.81568137 2.46039962 -3.51036874
H             -13.09269993 4.32727718 -2.45803327
H             -11.92587807 5.95096640 -0.96541125
H                -9.48240153 5.70800016 -0.52663762
O                -7.03756475 4.41110740 -0.53133143
H                -7.52624442 5.33480707 -0.16475915
O                -7.87333498 6.56975308 -0.26584073
H                -7.07454023 7.04312864 -0.59756127

1 2 1.5 6 1.5 7 1.0
2 3 1.5 8 1.0
3 4 1.5 9 1.0
4 5 1.5 10 1.0
5 6 1.5 12 1.5
6 11 1.0
7
8
9
10
11
12 13 1.0 24 1.0
13 14 1.5 18 1.5
14 15 1.5 19 1.0
15 16 1.5 20 1.0
16 17 1.5 21 1.0
17 18 1.5 22 1.0
18 23 1.0
19
20
21
22
23
24
25
26 27 1.0
27
已经优化到稳定结构的输出文件：
http://g.zhubajie.com/urllink.php?id=10904910nyb9p9ur03jhor40

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