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[交流] 【求助】ONIOM出错，请大家帮忙看一下输入文件

下面是输入文件和错误信息，请大家帮忙看下怎么回事？万分感激，敬请指教。
# opt oniom(b3lyp/6-31g:amber)=embed geom=connectivity

T64ZSM-5

0 1 0 1 0 1
O-(PDBName=O34,ResName=MOL,ResNum=2)             -1 19.91350161 16.96943536 10.71366159 L
Si-(PDBName=Si3,ResName=MOL,ResNum=2)             0 14.40550161 11.28043536 13.07666159 H
Si-(PDBName=Si4,ResName=MOL,ResNum=2)             -1 17.54750161 11.31443536 13.13766159 L H 6
Si-(PDBName=Si9,ResName=MOL,ResNum=2)             -1 14.47650161 6.62243536 13.07866159 L
Si-(PDBName=Si10,ResName=MOL,ResNum=2)          -1 17.57950161 6.61643536 13.09566159 L
O-(PDBName=O15,ResName=MOL,ResNum=2)             0 15.97550161 11.23943536 13.10766159 H
O-(PDBName=O21,ResName=MOL,ResNum=2)             -1 16.02950161 6.96843536 13.10966159 L
Si-(PDBName=Si1,ResName=MOL,ResNum=2)             -1 18.43950161 8.93643536 11.29966159 L
Si-(PDBName=Si2,ResName=MOL,ResNum=2)             -1 16.13250161 9.50943536 9.33666159 L H 26
Si-(PDBName=Si5,ResName=MOL,ResNum=2)             -1 11.40950161 9.51943536 9.28566159 L H 27
Si-(PDBName=Si6,ResName=MOL,ResNum=2)             -1 13.71450161 8.88743536 11.19566159 L H 32
Si-(PDBName=Si7,ResName=MOL,ResNum=2)             -1 18.44450161 13.49343536 11.18166159 L H 21
Si-(PDBName=Si8,ResName=MOL,ResNum=2)             0 16.14450161 12.65143536 9.28566159 H
Si-(PDBName=Si11,ResName=MOL,ResNum=2)             0 11.39250161 12.65543536 9.23866159 H
Si-(PDBName=Si12,ResName=MOL,ResNum=2)             0 13.72750161 13.50843536 11.07666159 H
O-(PDBName=O13,ResName=MOL,ResNum=2)             -1 17.44250161 8.99843536 10.07166159 L
O-(PDBName=O14,ResName=MOL,ResNum=2)             -1 16.15750161 8.89243536 7.85866159 L
O-(PDBName=O16,ResName=MOL,ResNum=2)             -1 11.92250161 8.84543536 7.94866159 L
帖子大小限制，以下省略。
错误信息：Error: segmentation violation
rax 0000000000000000, rbx ffffffffffffffff, rcx ffffffffffffffff
rdx 0000000000007889, rsp 00007fff7e5d1de8, rbp 00007fff7e5d23c0
rsi 000000000000000b, rdi 0000000000007889, r8  00002b822bf354c0
r9  0000000000000000, r10 0000000000000000, r11 0000000000000206
r12 0000000000000000, r13 0000000000000000, r14 00007fff7e5d2408
r15 00000000008b3d90
  0  0x357ea306a7
  1  0x44aea5  lnk1e_ + 0x225
  2  0x4449d0  gauerr_ + 0x80
  3  0x46fcde  setaty_ + 0x84e
  4  0x44d7a5  mminit_ + 0x1285
  5  0x408115  rdgeom_ + 0x49e5
  6  0x403710  MAIN_ + 0xb0
  7  0x403648

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