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[交流] 错误Uncompressed Fx but compression in L1002已有1人参与

请高手指点，如题的错误是什么原因。谢谢！

%chk=1554oniomfreq
%mem=150MW
# freq oniom(b3lyp/lanl2dz:uff)

cu

0 1 0 1 0 1
Cu-             0 -1.870226 1.513559 -0.508454 H
O-O_R          0 -3.501008 1.234235 0.548798 H
O-O_R          0 2.921982 2.498230 1.807500 H
N-N_R          0 -4.698962 -0.669980 1.341333 H
N-N_R          0 -4.483174 -1.794925 2.155632 H
N-N_R          0 -0.861226 0.980148 1.202822 H
N-N_R          0 0.239223 1.831307 1.464849 H
C-C_R          0 -6.033028 0.027166 -0.551569 L
C-C_R          0 -7.234978 0.204836 -1.141370 L
C-C_R          0 -8.367611 -0.107248 -0.477353 L
C-C_R          0 -8.300925 -0.601780 0.776540 L
C-C_R          0 -7.101263 -0.783081 1.370199 L
C-C_R          0 -5.955551 -0.463393 0.714668 L H-H_    4 0.0000
C-C_R          0 -3.559252 0.104472 1.193421 H
C-C_R          0 -2.517908 -0.574357 1.949364 H
C-C_R          0 -3.196948 -1.733815 2.509029 H
C-C_R          0 -2.607943 -2.839559 3.278787 L H-H_    16 0.0000
C-C_R          0 -1.893109 -3.801351 2.647630 L
C-C_R          0 -1.340144 -4.818451 3.345313 L
C-C_R          0 -1.498401 -4.899907 4.683740 L
C-C_R          0 -2.216390 -3.966172 5.337966 L
C-C_R          0 -2.792016 -2.907817 4.616104 L
C-C_R          0 -1.218187 0.011301 2.070454 H
C-C_3          0 -0.270684 -0.397695 3.188041 L H-H_    23 0.0000
C-C_R          0 1.056442 -0.904104 2.667644 L
C-C_R          0 2.216979 -0.330111 3.079690 L
C-C_R          0 3.404907 -0.809931 2.651692 L
C-C_R          0 3.445106 -1.870851 1.819465 L
C-C_R          0 2.298564 -2.445792 1.401986 L
C-C_R          0 1.108535 -1.964677 1.820945 L
C-C_R          0 0.062176 2.797699 2.365246 H
C-C_R          0 1.068875 3.686479 2.852954 H
C-C_R          0 0.667210 4.770503 3.697945 H
C-C_R          0 1.594907 5.672340 4.201214 H
C-C_R          0 2.973038 5.514235 3.865020 H
C-C_R          0 3.399747 4.474687 3.046023 H
C-C_R          0 2.469851 3.513901 2.529615 H
Cu-             0 1.946891 1.558535 0.420953 H
O-O_R          0 3.588287 1.043882 -0.550894 H
O-O_R          0 -2.813858 2.124590 -2.091368 H
N-N_R          0 4.710643 -0.961593 -1.218361 H
N-N_R          0 4.405882 -2.185245 -1.841837 H
N-N_R          0 0.920392 0.848635 -1.205098 H
N-N_R          0 -0.160047 1.688649 -1.558160 H
C-C_R          0 6.545994 0.546283 -0.757611 L
C-C_R          0 7.791385 0.774210 -0.286481 L
C-C_R          0 8.522986 -0.243301 0.213638 L
C-C_R          0 8.013323 -1.492256 0.239315 L
C-C_R          0 6.769440 -1.725821 -0.231823 L
C-C_R          0 6.018967 -0.706939 -0.727512 L H-H_    41 0.0000
C-C_R          0 3.602022 -0.133918 -1.103461 H
C-C_R          0 2.512072 -0.854687 -1.737034 H
C-C_R          0 3.106608 -2.117185 -2.147465 H
C-C_R          0 2.419088 -3.302550 -2.698901 L H-H_    53 0.0000
C-C_R          0 1.258660 -3.734177 -2.154409 L
C-C_R          0 0.614366 -4.858598 -2.692770 L
C-C_R          0 1.169637 -5.500454 -3.738075 L
C-C_R          0 2.337162 -5.065194 -4.257590 L
C-C_R          0 2.958829 -3.980305 -3.742575 L
C-C_R          0 1.258421 -0.207813 -1.968281 H
C-C_3          0 0.378097 -0.621158 -3.141861 L H-H_    60 0.0000
C-C_R          0 -1.011640 -1.113459 -2.778982 L
C-C_R          0 -1.943314 -1.194128 -3.764342 L
C-C_R          0 -3.186479 -1.661028 -3.514003 L
C-C_R          0 -3.527572 -2.077862 -2.278680 L
C-C_R          0 -2.630733 -2.025090 -1.278613 L
C-C_R          0 -1.345445 -1.517802 -1.525764 L
C-C_R          0 0.029163 2.594474 -2.515768 H
C-C_R          0 -0.999016 3.391718 -3.108174 H
C-C_R          0 -0.626976 4.445446 -4.001585 H
C-C_R          0 -1.588267 5.232684 -4.622161 H
C-C_R          0 -2.969237 4.982423 -4.362793 H
C-C_R          0 -3.367573 3.966846 -3.500098 H
C-C_R          0 -2.401224 3.126637 -2.857641 H
H-H_          0 -5.137802 0.263069 -1.112011 L
H-H_          0 -7.289757 0.593329 -2.150683 L
H-H_          0 -9.330189 0.035430 -0.952303 L
H-H_          0 -9.210549 -0.854161 1.307105 L
H-H_          0 -7.065517 -1.178230 2.378224 L
H-H_          0 -1.761254 -3.765996 1.572681 L
H-H_          0 -0.767081 -5.576058 2.825486 L
H-H_          0 -1.050705 -5.719278 5.231990 L
H-H_          0 -2.348275 -4.029545 6.410523 L
H-H_          0 -3.367024 -2.151658 5.137330 L
H-H_          0 -0.127147 0.474021 3.861502 L
H-H_          0 -0.711592 -1.184501 3.825104 L
H-H_          0 2.205268 0.512841 3.760221 L
H-H_          0 4.326522 -0.347769 2.982646 L
H-H_          0 4.397422 -2.260728 1.485666 L
H-H_          0 2.334473 -3.295727 0.732813 L
H-H_          0 0.200976 -2.435407 1.474349 L
H-H_          0 -0.951826 2.932788 2.749929 H
H-H_          0 -0.389211 4.881314 3.938807 H
H-H_          0 1.280153 6.492189 4.840104 H
H-H_          0 3.702220 6.219863 4.257595 H
H-H_          0 4.446240 4.341341 2.788715 H
H-H_          0 5.987900 1.374042 -1.174406 L
H-H_          0 8.205595 1.774334 -0.314560 L
H-H_          0 9.521041 -0.058215 0.590638 L
H-H_          0 8.602452 -2.308351 0.638736 L
H-H_          0 6.375303 -2.734181 -0.197482 L
H-H_          0 0.828782 -3.235533 -1.297952 L
H-H_          0 -0.317666 -5.207946 -2.266996 L
H-H_          0 0.680920 -6.369895 -4.159515 L
H-H_          0 2.779353 -5.589439 -5.095601 L
H-H_          0 3.892656 -3.651067 -4.183453 L
H-H_          0 0.286896 0.253116 -3.820235 L
H-H_          0 0.873688 -1.402427 -3.751950 L
H-H_          0 -1.696968 -0.883774 -4.773228 L
H-H_          0 -3.912595 -1.711131 -4.315746 L
H-H_          0 -4.523069 -2.460850 -2.091797 L
H-H_          0 -2.897020 -2.378709 -0.293287 L
H-H_          0 -0.639559 -1.477515 -0.708421 L
H-H_          0 1.051596 2.735742 -2.875112 H
H-H_          0 0.431034 4.625920 -4.186496 H
H-H_          0 -1.297214 6.032839 -5.296294 H
H-H_          0 -3.723145 5.597632 -4.849341 H
H-H_          0 -4.415400 3.763909 -3.299743 H

输出文件：
**** Warning!!: The smallest alpha delta epsilon is  0.46445767D-01

  1 Symmetry operations used in ECPInt.
ECPInt:  NShTT= 23871 NPrTT=  187391 LenC2= 20372 LenP2D= 80279.
LDataN:  DoStor=F MaxTD1= 5 Len=  102
LDataN:  DoStor=T MaxTD1= 5 Len=  102
Symmetrizing basis deriv contribution to polar:
IMax=3 JMax=2 DiffMx= 0.00D+00
G2DrvN: will do 53 centers at a time, making 1 passes doing MaxLOS=2.
FoFDir/FoFCou used for L=0 through L=2.
      Differentiating once with respect to electric field.
            with respect to dipole field.
      Differentiating once with respect to nuclear coordinates.
Uncompressed Fx but compression in L1002.
Error termination via Lnk1e in g:\G03W\l1002.exe at Wed Aug 17 05:12:42 2005.
觉得关键应该是在Uncompressed Fx but compression in L1002.这一句，但不明白这是什么意思？多谢各位指点！

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