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[求助]
gaussian计算End of G2Drv F.D. properties file 721 does not exist.
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求助大神 gauss小白 在运行中出现 End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. 然后就不行了 网上搜过有大神说应该是应该是硬盘空间不足，我设置maxdisk=4GB，20GB都不行 把C,H,N,的p极化函数取消也不行，求怎么解决？感激 %chk=D:\g09w\SbPcDZC4v2GB.chk # opt=calcfc ub3lyp/genecp guess=save pop=(nbo,savenbo) geom=connectivity SbPcDZC4v 0 2 Sb 0.00000000 0.00000000 0.65371429 H 5.57835207 1.95197899 -0.12628571 C -4.11916182 5.11323468 -0.12628571 C -1.16105384 -2.73754599 -0.12628571 C 4.78115072 -2.76674279 -0.12628571 C -3.42807976 2.43586011 -0.12628571 C 2.76674279 4.78115072 -0.12628571 C 1.16105384 2.73754599 -0.12628571 C -2.76674279 -4.78115072 -0.12628571 C 4.11916182 5.11323468 -0.12628571 C -4.78115072 -2.76674279 -0.12628571 N -1.36893781 -1.36893781 -0.12628571 C 2.43586011 -3.42807976 -0.12628571 H 6.21016406 4.42892309 -0.12628571 C -2.73754599 -1.16105384 -0.12628571 H -6.21016406 -4.42892309 -0.12628571 C -5.11323468 -4.11916182 -0.12628571 H -5.57835207 1.95197899 -0.12628571 H -1.95197899 -5.57835207 -0.12628571 C -5.11323468 4.11916182 -0.12628571 C 5.11323468 -4.11916182 -0.12628571 H 6.21016406 -4.42892309 -0.12628571 H 1.95197899 5.57835207 -0.12628571 N 1.36893781 -1.36893781 -0.12628571 C -4.78115072 2.76674279 -0.12628571 C 3.42807976 2.43586011 -0.12628571 N -3.37969544 0.00000000 -0.12628571 H -1.95197899 5.57835207 -0.12628571 N 0.00000000 -3.37969544 -0.12628571 C -2.73754599 1.16105384 -0.12628571 N -1.36893781 1.36893781 -0.12628571 C -4.11916182 -5.11323468 -0.12628571 C 2.76674279 -4.78115072 -0.12628571 N 1.36893781 1.36893781 -0.12628571 C 2.73754599 1.16105384 -0.12628571 C -1.16105384 2.73754599 -0.12628571 C 4.11916182 -5.11323468 -0.12628571 H 4.42892309 6.21016406 -0.12628571 C -2.43586011 -3.42807976 -0.12628571 H 1.95197899 -5.57835207 -0.12628571 N 0.00000000 3.37969544 -0.12628571 H -4.42892309 6.21016406 -0.12628571 H -5.57835207 -1.95197899 -0.12628571 N 3.37969544 0.00000000 -0.12628571 C 3.42807976 -2.43586011 -0.12628571 C 5.11323468 4.11916182 -0.12628571 H 4.42892309 -6.21016406 -0.12628571 C -3.42807976 -2.43586011 -0.12628571 C -2.43586011 3.42807976 -0.12628571 H -4.42892309 -6.21016406 -0.12628571 C -2.76674279 4.78115072 -0.12628571 H 5.57835207 -1.95197899 -0.12628571 C 1.16105384 -2.73754599 -0.12628571 H -6.21016406 4.42892309 -0.12628571 C 2.73754599 -1.16105384 -0.12628571 C 4.78115072 2.76674279 -0.12628571 C 2.43586011 3.42807976 -0.12628571 1 34 1.0 31 1.0 12 1.0 24 1.0 2 56 1.0 3 42 1.0 51 2.0 20 1.0 4 39 1.0 12 1.0 29 2.0 5 21 2.0 52 1.0 45 1.0 6 25 1.0 49 2.0 30 1.0 7 57 2.0 10 1.0 23 1.0 8 34 1.0 41 2.0 57 1.0 9 19 1.0 39 2.0 32 1.0 10 46 2.0 38 1.0 11 43 1.0 48 2.0 17 1.0 12 15 2.0 13 53 1.0 45 2.0 33 1.0 14 46 1.0 15 27 1.0 48 1.0 16 17 1.0 17 32 2.0 18 25 1.0 19 20 54 1.0 25 2.0 21 37 1.0 22 1.0 22 23 24 55 1.0 53 2.0 25 26 35 1.0 56 2.0 57 1.0 27 30 2.0 28 51 1.0 29 53 1.0 30 31 1.0 31 36 2.0 32 50 1.0 33 37 2.0 40 1.0 34 35 2.0 35 44 1.0 36 49 1.0 41 1.0 37 47 1.0 38 39 48 1.0 40 41 42 43 44 55 2.0 45 55 1.0 46 56 1.0 47 48 49 51 1.0 50 51 52 53 54 55 56 57 Sb 0 Lanl2DZ **** Sb 0 P 1 1.00 0.0220000 1.0000000 D 1 1.00 0.2070000 1.0000000 **** H C N 0 6-31+G(d,p) **** Sb 0 Lanl2DZ |
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2楼2019-09-29 14:56:39
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