Ec/data_AS/pyridine_no.dat

27 lines
2.3 KiB
Plaintext

1 -246.7129399157 -1.0796424652 0.0000000000 -0.6912289838 0.0000000000
5 -246.7451859834 -0.9955376908 0.0000000000 -0.6837634163 0.0000000000
10 -246.7612837400 -0.9559036755 0.0000000000 -0.6705242472 0.0000000000
20 -246.7808939429 -0.9098073397 0.0000000000 -0.6602962533 0.0000000000
40 -246.7985008116 -0.8769202021 0.0000000000 -0.6479478918 0.0000000000
80 -246.8148608346 -0.8469860814 0.0000000000 -0.6352144125 0.0000000000
160 -246.8358971440 -0.8111625248 0.0000000000 -0.6191732111 0.0000000000
320 -246.8642032610 -0.7623964847 0.0000000000 -0.5952892296 0.0000000000
640 -246.9005063031 -0.7088224983 0.0000000000 -0.5661840926 0.0000000000
1280 -246.9468913356 -0.6420034453 0.0003185659 -0.5274750623 0.0002617362
2560 -247.0044221742 -0.5659022750 0.0003501213 -0.4793901381 0.0002965966
5120 -247.0711972456 -0.4853508329 0.0001289535 -0.4241231715 0.0001126858
10240 -247.1426530479 -0.4058591963 0.0003315019 -0.3651162275 0.0002982235
20480 -247.2146750021 -0.3319010244 0.0004821441 -0.3061260569 0.0004447014
40960 -247.2830284538 -0.2657199131 0.0004996168 -0.2502601195 0.0004705487
81920 -247.3402933572 -0.2124865594 0.0004137346 -0.2032100611 0.0003956722
163840 -247.3807951536 -0.1760364906 0.0002887170 -0.1700145051 0.0002788403
327680 -247.4051676896 -0.1547741664 0.0002783514 -0.1503003410 0.0002703055
655360 -247.4202874645 -0.1412721255 0.0011004544 -0.1376365033 0.0010721344
1310720 -247.4309882589 -0.1336741244 0.0002544698 -0.1305135688 0.0002484532
2621440 -247.4423088916 -0.1243988194 0.0002459875 -0.1217231117 0.0002406965
5242880 -247.4527864553 -0.1154370381 0.0002299552 -0.1131784717 0.0002254561
10485760 -247.4637428655 -0.1057773192 0.0002104625 -0.1039205954 0.0002067683
20971520 -247.4753699775 -0.0967407932 0.0001933432 -0.0952218594 0.0001903075
41943040 -247.4876731985 -0.0865878863 0.0001719015 -0.0853982537 0.0001695398
83886080 -247.5004308830 -0.0770957245 0.0003815831 -0.0761773500 0.0003770376