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#p td=direct b3lyp/6-311g* opt=(maxstep=10) geom=check  pop=reg gfprint gfinput iop(6/7=3)

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Using GEDIIS/GDIIS optimizer.
Internal  Forces:  Max     0.018225228 RMS     0.002978410
Search for a local minimum.
Step number   2 out of a maximum of  294

Item               Value     Threshold  Converged?
Maximum Force            0.018225     0.000450     NO
RMS     Force            0.002978     0.000300     NO
Maximum Displacement     0.218609     0.001800     NO
RMS     Displacement     0.053504     0.001200     NO

SCF Done:  E(RB3LYP) =  -2399.45466433     A.U. after   17 cycles
             Convg  =    0.6157D-08             -V/T =  2.0028
KE= 2.392808521637D+03 PE=-1.226346579468D+04 EE= 4.159224390263D+03
Leave Link  502 at Thu Dec  8 11:13:06 2011, MaxMem= 1048576000 cpu:    2523.0
No executable for file l801.exe
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yulucky

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mchen10

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gmy1990(½ð±Ò+2): 2011-12-11 14:55:57
¡±No executable for file l801.exe¡°
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hisensecao

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5Â¥2011-12-11 14:58:42
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ÃÎ623

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Â¥: Originally posted by mchen10 at 2011-12-11 14:39:47:
¡±No executable for file l801.exe¡°
¸ß˹ÕÒ²»µ½l801.exeÎļþ ±àÒë »ò ·¾¶ÉèÖÃÓÐÎÊÌâ
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6Â¥2011-12-12 08:25:14
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