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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