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%chk=fre.chk # opt=(calcfc,qst2) freq=noraman b3lyp/6-31g(d) ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.004395935 0.074448255 0.000586138 2 8 -0.076212779 -0.008735329 -0.004587036 3 1 0.020059177 -0.005411220 0.001173776 4 1 0.051757667 -0.060301705 0.002827121 ------------------------------------------------------------------- Cartesian Forces: Max 0.076212779 RMS 0.038970201 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. NTrRot= -1 NTRed= 10 NAtoms= 4 NSkip= 4 IsLin=F Error in internal coordinate system. Error termination via Lnk1e in /export/g09/l103.exe at Wed Mar 20 15:22:18 2013. Job cpu time: 0 days 0 hours 0 minutes 22.6 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 |
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