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ÕæµÄÊǷdz£¸Ðл°¡~£¡ ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000988827 0.000000003 -0.001777271 2 7 -0.001238484 -0.000000002 0.001092323 3 8 0.005464093 0.000000000 -0.003045526 4 1 0.000319673 -0.000000001 0.000253300 5 1 -0.003556455 0.000000000 0.003477174 ------------------------------------------------------------------- Cartesian Forces: Max 0.005464093 RMS 0.002174097 Error on Z-matrix card number 4 angle Alpha is outside the valid range of 0 to 180. Conversion from Z-matrix to cartesian coordinates failed: ------------------------------------------------------------------------ Z-MATRIX (ANGSTROMS AND DEGREES) CD Cent Atom N1 Length/X N2 Alpha/Y N3 Beta/Z J ------------------------------------------------------------------------ 1 1 C 2 2 N 1 1.148142( 1) 3 3 O 2 2.671782( 2) 1 100.735( 5) 4 4 H 1 1.067508( 3) 2 180.265( 6) 3 0.001( 8) 0 5 5 H 3 0.969901( 4) 2 58.156( 7) 1 180.000( 9) 0 ------------------------------------------------------------------------ Error termination via Lnk1e in C:\G98W\l716.exe. Job cpu time: 0 days 1 hours 42 minutes 2.0 seconds. File lengths (MBytes): RWF= 23 Int= 0 D2E= 0 Chk= 11 Scr= 1 |

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