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G03WÒø³æ (ÕýʽдÊÖ)
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# Ub3lyp/6-31g(d,p) scan test NDHPI-R 0 2 C C 1 B1 C 2 B2 1 A1 C 3 B3 2 A2 1 D1 D14 179.99620747 D15 180.00000000 D16 -179.99493991 D17 -180.00000000 D18 179.95948586 scan 36 5.0 ³ö´íÐÅÏ¢ D14 179.99621 D15 180. D16 -179.99494 D17 -180. WANTED AN INTEGER AS INPUT. FOUND A STRING AS INPUT. D18 179.95948586 Scan 36 5.0 ? Error termination via Lnk1e in /home/gauss/g03/l101.exe Çë´íÔÚÄÄÀ |
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