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标题: ORCA6.0更新后ESD(fluo)疑似出现BUG [打印本页]

作者
Author: Alizzard 时间: 2024-10-18 10:48
标题: ORCA6.0更新后ESD(fluo)疑似出现BUG
近期ORCA6.0更新后，我测试了一下比较感兴趣的ESD模块，用于计算光物理过程的速率系数和光谱。目前发现了一个很大的问题。
计算模型是QM/MM，计算了荧光光谱，含有HT的计算。
所计算的分子含有34个原子，应有96个振动模式，如果包含平动的6个，应有102个振动模式。ORCA6.0在QM/MM模型下的频率计算会计算出204个振动模式（包含6个平动），ORCA5.04计算完出现111个振动模式（包含6个平动）。测试了下相同模型和基组泛函在g16中的计算，会出现102个振动模式（不包含平动）。文末列出了振动模式的计算结果，完整的计算结果文件，也在附件中给出。
QM/MM模型出现更多振动模式可能是因为平动不容易描述问题，这点我还不是很清楚。但不影响ORCA继续用ESD模块计算荧光光谱和速率系数。计算方法和结果如下：

ORCA6.0：
! QMMM B3LYP DEF2-TZVP TIGHTSCF ESD(FLUOR) DEFGRID3 D3 RIJCOSX
%maxcore  7500
%pal nprocs 14 end
%TDDFT NROOTS 5
TROOT 1
printlevel 3
END
%ESD  GSHESSIAN "opt-freq-crytal-B3LYP-S0.hess"
   ESHESSIAN "freq-crytal-B3LYP-S1.hess"
USEJ FALSE
DOHT TRUE
LINES LORENTZ
LINEW 30
INLINEW 100
TEMP 77
IFREQFLAG  REMOVE
printlevel 3
END
%qmmm
Embedding Electrostatic
QMAtoms {0:33} end
ActiveAtoms {0:33} end
ORCAFFFilename "frag_0001_merged_merged_merged.ORCAFF.prms"
end
* XYZFILE 0 1 opt-freq-crytal-B3LYP-S0.xyz

计算结果：

      ***Everything is set, now computing the correlation function***

Homogeneous linewidth is: 30.00 cm-1
Number of points: 2
Maximum time: 2654.42 fs
Spectral resolution: 2.00 cm-1
Temperature used: 77.00 K
Z value: 1.708732e-337
Cutoff for the correlation function: 1.00e-06
Adiabatic energy difference: 377772577906.95 cm-1
0-0 energy difference: 377772577036.15 cm-1
Reference transition dipole (x,y,z): (8.22827e-01 0.00000e+00),
                                    (-1.50368e-01 0.00000e+00),
                                    (1.25472e+00 0.00000e+00)
Calculating correlation function: ...done
Last element of the correlation function: 0.000000,0.000000
Computing the Fourier Transform: ...done

The calculated fluorescence rate constant is 0.000000e+00 s-1
with -nan% from FC and -nan% from HT

The fluorescence spectrum was saved in F-HT-Crystal-O-B3LYP-77K.spectrum

Total run time: 16 hours 30 minutes 29 seconds

                  ****ORCA ESD FINISHED WITHOUT ERROR****

可见ORCA6.0认为计算程序没有报错，但最后没有输出速率系数。同时，spectrum文件中是空的。
采用ORCA5.04在方法相同的计算方法下计算结果如下：

      ***Everything is set, now computing the correlation function***

Homogeneous linewidth is: 30.00 cm-1
Number of points: 131072
Maximum time: 2654.42 fs
Spectral resolution: 2.00 cm-1
Temperature used: 77.00 K
Z value: 1.269285e-456
Cutoff for the correlation function: 1.00e-06
Adiabatic energy difference: 22963.08 cm-1
0-0 energy difference: 21973.19 cm-1
Reference transition dipole (x,y,z): (-0.74191 0.00000),
                                    (0.12894 0.00000),
                                    (-1.07113 0.00000)
Calculating correlation function: ...done
Last element of the correlation function: -0.000000,-0.000000
Computing the Fourier Transform: ...done

The calculated fluorescence rate constant is 1.662578e+13 s-1
with 0.00% from FC and 100.00% from HT

The fluorescence spectrum was saved in F-HT-Crystal-O-B3LYP-77K.spectrum

Total run time: 11 hours 23 minutes 13 seconds

                  ****ORCA ESD FINISHED WITHOUT ERROR****

可以计算出速率系数核光谱。虽然数值可能有一定的高估，但是终究是能正常输出。
ORCA6.0的更新内容目录里有一条
“More efficient MM Module”
可能是对QMMM方法进行了更新。也不知道对ESD模块核Hessian模块改了什么，总之变化十分明显，但也不是全都往好的方向的变化。目前QMMM模型的ESD模块存在着比较大的问题。
所有结果见下面网盘，大概45MB。

https://pan.baidu.com/s/1NJcy-ClnDtuPBxge_9rykg
提取码：36tk

附录：
振动模式计算结果
ORCA6.0：基于S0结果，取自hess文件$ir_spectrum段
$ir_spectrum
204
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   5.02 0.00000000 0.00000019 -0.000016 -0.000038    0.000026
   5.03 0.00000000 0.00000010    0.000011 -0.000021    0.000025
   5.12 0.00000000 0.00000000    0.000000    0.000000    0.000000
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   37.82 0.00002428 0.12272137    0.013611 -0.001661    0.003517
   50.89 0.00005109 0.25821076    0.009053 -0.015184 -0.000905
   62.95 0.00011721 0.59233685    0.022347    0.008160    0.003878
   67.73 0.00024166 1.22122736 -0.011002 -0.014256    0.028092
   82.90 0.00007492 0.37863686    0.008900 -0.014143    0.001674
111.69 0.00086752 4.38408166 -0.019852 -0.009204    0.044102
133.92 0.00077137 3.89821133    0.022678    0.000319 -0.035821
146.42 0.00026567 1.34260189    0.002660    0.020777    0.011291
177.30 0.00009022 0.45592830    0.009779 -0.007418    0.002853
193.89 0.00010612 0.53628914 -0.004647 -0.007359 -0.009750
216.99 0.00001610 0.08135954    0.004078 -0.002175    0.001339
237.06 0.00001245 0.06290115 -0.002395 -0.001168 -0.003047
269.58 0.00007022 0.35487193 -0.001105    0.008933 -0.000510
284.58 0.00011784 0.59551006 -0.009941    0.003208 -0.004483
290.89 0.00018388 0.92926462    0.010497 -0.005950    0.007189
299.62 0.00048911 2.47175940    0.007116 -0.006854    0.020293
346.29 0.00066947 3.38322987    0.010503 -0.006431    0.021251
352.17 0.00093690 4.73472977 -0.003922    0.028473    0.002032
367.00 0.00291958  14.75437581    0.011011 -0.000105    0.048593
374.61 0.00293765  14.84566976    0.000081    0.049017    0.006672
398.26 0.00285135  14.40954403    0.024220 -0.009062    0.039566
434.17 0.00020892 1.05580535 -0.002986 -0.009662 -0.006921
477.47 0.00065759 3.32320406 -0.005135    0.015639 -0.012604
486.42 0.00060247 3.04462610    0.000121 -0.004305 -0.019183
489.17 0.00006478 0.32734708 -0.005990 -0.002319    0.000251
525.06 0.00027372 1.38325480    0.000020 -0.012544 -0.002309
558.10 0.00014817 0.74879629    0.006902 -0.002582    0.005344
562.82 0.00008285 0.41867653    0.006494 -0.000616 -0.001840
574.89 0.00078883 3.98641479 -0.006551 -0.018922 -0.005219
597.62 0.00018434 0.93156576    0.004606 -0.004451    0.007432
623.21 0.00085354 4.31345539    0.019894 -0.005281 -0.001929
646.90 0.00049217 2.48723015    0.006741    0.002186    0.013682
672.04 0.00003393 0.17146967    0.001654    0.003059 -0.001913
682.75 0.00079770 4.03122833    0.015015    0.003476 -0.011272
694.57 0.00128206 6.47902855    0.002314 -0.023168 -0.005821
714.89 0.00637259  32.20447110 -0.039433 -0.008055    0.034088
746.35 0.00075043 3.79235698 -0.002196    0.017035    0.004330
775.08 0.00038086 1.92473232    0.008209    0.000217 -0.009269
793.41 0.00008430 0.42600558    0.003902    0.004035 -0.001284
812.12 0.00639952  32.34057154    0.037857    0.002714 -0.031914
823.99 0.00127841 6.46057746    0.016541    0.004170 -0.013898
827.83 0.00018629 0.94141862    0.007274    0.002675 -0.003186
856.19 0.01718665  86.85428022 -0.071195 -0.007813    0.033680
873.16 0.00179865 9.08963768 -0.009641    0.021817    0.008595
881.81 0.00053295 2.69331345    0.011704    0.004419 -0.005665
926.54 0.00140443 7.09741435    0.018281    0.001987 -0.011614
941.93 0.00116097 5.86706904    0.000219 -0.018541 -0.006389
949.38 0.00188254 9.51360697 -0.002823    0.024692    0.001071
952.14 0.00311712  15.75265871    0.000732 -0.031708 -0.003962
964.76 0.00110683 5.59346398 -0.004274 -0.001403 -0.018379
1001.99 0.00013646 0.68963086    0.000543 -0.003678    0.005355
1031.86 0.00111083 5.61367962    0.010834 -0.004286    0.014149
1043.74 0.00856610  43.28957347 -0.019243    0.004578 -0.046582
1068.23 0.00095886 4.84570280    0.009050 -0.008339 -0.011344
1072.49 0.00045205 2.28446516 -0.005545 -0.007241    0.006954
1078.99 0.00005579 0.28193013    0.001242 -0.003766 -0.000642
1092.56 0.00051954 2.62553593    0.011539 -0.001792 -0.003468
1114.10 0.00224244  11.33235308    0.013098 -0.021340 -0.001081
1122.68 0.00570329  28.82209541    0.003566    0.039288    0.005390
1133.07 0.00048194 2.43551287 -0.011272    0.001575 -0.001786
1151.84 0.00035896 1.81406118 -0.001001 -0.009752    0.001070
1159.66 0.00134660 6.80518034 -0.008550 -0.003670 -0.016607
1200.71 0.00146095 7.38306708 -0.013037 -0.002460 -0.014272
1207.67 0.00045074 2.27783488 -0.003324 -0.006009 -0.008326
1215.17 0.00199731  10.09357178 -0.016421    0.005345 -0.014653
1227.35 0.00081288 4.10798197 -0.004626    0.013417 -0.002293
1234.05 0.00446249  22.55158564    0.027290 -0.004364    0.019097
1248.19 0.00105455 5.32924912 -0.008810 -0.006640 -0.011914
1285.38 0.00051139 2.58437849    0.002722    0.010768    0.000897
1290.84 0.00864611  43.69391718    0.015535 -0.006185    0.042551
1322.56 0.00599744  30.30858119    0.016351    0.022557    0.025277
1327.76 0.01030465  52.07549916 -0.030051    0.018717 -0.034183
1359.99 0.04424654 223.60386319    0.038567 -0.017460    0.091436
1368.60 0.00592207  29.92770876    0.018582 -0.003075    0.031553
1384.31 0.00805966  40.73020622 -0.000355 -0.041486 -0.009782
1389.25 0.00432841  21.87401823    0.001419 -0.029764 -0.009184
1391.98 0.00176713 8.93036631 -0.015505    0.012376 -0.001613
1471.75 0.03503229 177.03884734 -0.003720    0.084865    0.014569
1499.99 0.01790334  90.47616540 -0.008164    0.033241 -0.050528
1516.85 0.00310428  15.68775759 -0.004500    0.021399 -0.012668
1517.98 0.01475467  74.56407660    0.000677    0.049815    0.023478
1535.95 0.04315930 218.10939848 -0.036063    0.000085 -0.086419
1539.68 0.00611968  30.92633327 -0.004682    0.033958 -0.008080
1609.86 0.00374072  18.90408565 -0.014715    0.001434 -0.022506
1634.10 0.00071255 3.60091344 -0.005364    0.002829 -0.009965
1638.65 0.03542957 179.04651811 -0.047087    0.004683 -0.067142
1643.87 0.00152932 7.72855685 -0.010615    0.010597 -0.008084
1656.28 0.00963893  48.71120365 -0.034648 -0.022920    0.009504
1662.86 0.03831966 193.65184948 -0.006683    0.082795    0.017080
1711.91 0.11694518 590.99302740    0.105670 -0.005852    0.100586
1729.16 0.02361496 119.34034575 -0.018990    0.062340 -0.003863
3185.98 0.00010121 0.51147540 -0.001608    0.002640    0.000599
3191.01 0.00043155 2.18086266 -0.000674    0.006458    0.000207
3199.71 0.00053273 2.69220478 -0.003192    0.003206 -0.005611
3244.62 0.00286822  14.49481126 -0.003084 -0.013677 -0.008904
3246.03 0.00018453 0.93253607    0.000084    0.001930 -0.003743
3252.80 0.00006344 0.32059884    0.001426    0.000108    0.002010
3260.73 0.00105839 5.34864720    0.005085 -0.006099    0.006183
3264.10 0.00008741 0.44175639    0.002729    0.000017 -0.000953
3273.14 0.00077098 3.89619761 -0.000690    0.007298 -0.004447
3281.68 0.00016756 0.84678791    0.000030 -0.001947    0.003484
3317.33 0.00136286 6.88734105 -0.005897    0.009649 -0.000579
$end

ORCA5.04：基于S0结果，取自hess文件$ir_spectrum段
$ir_spectrum
111
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   0.00 0.00000000 0.00000000    0.000000    0.000000    0.000000
   0.00 0.00000000 0.00000000    0.000000    0.000000    0.000000
   0.00 0.00000000 0.00000000    0.000000    0.000000    0.000000
   5.12 0.00000000 0.00000000    0.000000    0.000000    0.000000
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   5.12 0.00000000 0.00000000    0.000000    0.000000    0.000000
   8.06 0.00000103 0.00520426    0.004633    0.000553    0.004255
   9.25 0.00000027 0.00136086 -0.002897    0.000812    0.000193
   11.48 0.00000387 0.01954454    0.007339    0.004202 -0.005797
   15.01 0.00000167 0.00846359 -0.004968 -0.000185 -0.003178
   18.09 0.00000205 0.01037193    0.002503 -0.005346 -0.000753
   30.86 0.00001456 0.07355969 -0.010083 -0.004318    0.005184
111.46 0.00149438 7.55200730    0.033511    0.018306 -0.052210
131.52 0.00050703 2.56231436 -0.017660    0.016503    0.024876
169.46 0.00003448 0.17422658 -0.007762 -0.001297 -0.001248
187.28 0.00000727 0.03675255    0.003212 -0.001190    0.000620
214.56 0.00002204 0.11138584    0.003713 -0.002651    0.003353
240.72 0.00001308 0.06608489    0.002032 -0.001882    0.003046
270.54 0.00015065 0.76133780    0.003319    0.011789    0.004877
285.65 0.00037651 1.90273059 -0.015630    0.004738 -0.012024
292.20 0.00001414 0.07144219    0.003829 -0.000522 -0.000408
297.54 0.00043373 2.19187494 -0.004625    0.005916 -0.019963
347.18 0.00053848 2.72124879 -0.005753 -0.000750 -0.021222
355.98 0.00101523 5.13057555    0.003103 -0.029660 -0.000819
366.75 0.00280418  14.17119787 -0.012461    0.003043 -0.047133
378.84 0.00304259  15.37597948    0.002786    0.048858    0.010553
399.06 0.00242696  12.26486033 -0.022285    0.009988 -0.036076
434.37 0.00060763 3.07068879    0.000343 -0.020288 -0.004981
479.31 0.00037132 1.87649560 -0.001522    0.014880 -0.004245
490.19 0.00061225 3.09404997    0.001249    0.001094    0.019673
493.13 0.00011074 0.55963114 -0.006675 -0.002246 -0.004525
527.29 0.00019347 0.97771451    0.000641    0.009749    0.004365
562.39 0.00002192 0.11076444    0.002747    0.001920 -0.000966
568.43 0.00006623 0.33471450 -0.005176    0.002183 -0.002193
577.01 0.00065825 3.32651437 -0.001855 -0.018151 -0.004808
600.52 0.00005574 0.28170454    0.001096 -0.003197    0.004189
627.40 0.00051089 2.58182129    0.015940    0.000040 -0.000172
652.30 0.00078205 3.95217781 -0.009218    0.001560 -0.016933
676.22 0.00001959 0.09899491 -0.001765 -0.001863    0.001566
685.60 0.00105179 5.31532916 -0.019373 -0.001656    0.010034
697.34 0.00134962 6.82044386    0.001917 -0.023916 -0.005321
717.77 0.00551236  27.85722259    0.036953    0.006677 -0.031409
748.44 0.00065514 3.31081280 -0.000474    0.014918    0.007099
778.41 0.00020536 1.03782828    0.007801 -0.001302 -0.004447
796.74 0.00005550 0.28047630 -0.001069    0.004538    0.000079
820.84 0.00561142  28.35781219 -0.034443 -0.004752    0.030405
829.48 0.00038173 1.92911926 -0.008966    0.000789    0.007912
829.67 0.00117848 5.95554775 -0.013172 -0.005337    0.015533
862.59 0.01683743  85.08945575    0.072096 -0.000584 -0.029886
879.84 0.00290160  14.66350751 -0.010063 -0.030419    0.001602
882.66 0.00135487 6.84696777 -0.019999 -0.004931    0.007399
931.30 0.00097422 4.92329596    0.012364    0.005089 -0.012152
947.79 0.00282583  14.28060067    0.000562 -0.030440 -0.001878
954.52 0.00017176 0.86798074    0.000190 -0.007444    0.000843
956.92 0.00382823  19.34628372 -0.000419    0.034697    0.006662
967.61 0.00081960 4.14190236    0.000583    0.000919    0.016222
1017.08 0.00002941 0.14861885 -0.001877    0.000113 -0.002343
1041.10 0.00658768  33.29142121    0.020191 -0.004805    0.039292
1046.71 0.00282052  14.25376146    0.005171 -0.001564    0.028491
1071.05 0.00048856 2.46899748    0.004740    0.010016 -0.004422
1073.42 0.00085218 4.30657236 -0.014179    0.005081    0.004569
1083.56 0.00011896 0.60116724 -0.001922    0.005192 -0.001899
1094.46 0.00046932 2.37175482 -0.010624 -0.002053    0.004090
1114.79 0.00347937  17.58330598 -0.003717    0.030418    0.005907
1124.68 0.00150745 7.61803152    0.001732    0.020107 -0.003316
1132.13 0.00059241 2.99381602 -0.012112    0.003704 -0.001692
1151.20 0.00052005 2.62812433    0.003682    0.010940    0.002783
1160.78 0.00037299 1.88494081    0.002294    0.007292    0.006469
1202.30 0.00133191 6.73091561    0.011064    0.003128    0.014612
1208.21 0.00139230 7.03612926    0.010865    0.005346    0.014594
1222.43 0.00211380  10.68229372 -0.016945    0.005565 -0.014883
1231.16 0.00121763 6.15338165 -0.003802    0.017115 -0.001121
1239.54 0.00837103  42.30377366    0.035931 -0.007980    0.027436
1250.36 0.00201437  10.17980106 -0.012986 -0.000873 -0.018258
1288.73 0.00310235  15.67802380 -0.009622    0.012159 -0.022601
1290.32 0.00559626  28.28118507    0.010572 -0.000627    0.035232
1317.92 0.00404000  20.41648225    0.004348    0.029053    0.009677
1327.17 0.01210667  61.18215602    0.034341 -0.010884    0.039356
1358.42 0.04885948 246.91576850 -0.041815    0.016546 -0.095927
1362.85 0.00413721  20.90776054 -0.016232    0.003376 -0.025932
1379.85 0.00297894  15.05435783 -0.002704 -0.025425 -0.004468
1388.53 0.00147594 7.45880811    0.006038    0.017170 -0.000668
1391.84 0.01020063  51.54980081 -0.001918    0.044203    0.018151
1472.13 0.03645745 184.24103096    0.003605 -0.086761 -0.013705
1500.89 0.01011452  51.11465771 -0.003509    0.026097 -0.037545
1510.10 0.00054192 2.73863948 -0.002473 -0.002669    0.009937
1520.73 0.01795980  90.76144689    0.011478 -0.059057    0.008124
1529.99 0.04651272 235.05622830 -0.031170 -0.004034 -0.092191
1534.02 0.00452731  22.87916011 -0.001330 -0.029540 -0.006828
1607.94 0.00303328  15.32895696 -0.013600 -0.000278 -0.020091
1632.82 0.00125123 6.32322247    0.004079 -0.012141    0.008666
1636.67 0.03278833 165.69876749 -0.042539    0.006599 -0.066322
1643.30 0.00322721  16.30899202    0.006532 -0.023769    0.002289
1655.53 0.00879073  44.42474366    0.032234    0.023886 -0.006888
1662.01 0.03299769 166.75680302    0.013124 -0.076025 -0.015612
1711.21 0.12334973 623.35898550    0.107812 -0.003485    0.104207
1723.32 0.02405107 121.54425556    0.018041 -0.063355    0.003983
3184.73 0.00004163 0.21038030    0.000118    0.001063    0.001713
3188.16 0.00036107 1.82472000    0.000866 -0.004045    0.004269
3190.83 0.00038871 1.96438835 -0.000179    0.006117    0.000756
3233.69 0.00027071 1.36807891    0.000603    0.005022    0.000735
3240.94 0.00036685 1.85392320    0.001296    0.002764    0.005100
3246.35 0.00045229 2.28568040    0.000367    0.006389    0.001588
3248.61 0.00019037 0.96205125    0.000296 -0.002523 -0.003440
3259.47 0.00062447 3.15583316 -0.001165    0.005198 -0.005605
3268.78 0.00059653 3.01464256    0.002001 -0.004337    0.005842
3273.94 0.00032932 1.66427168    0.003383    0.004178    0.001577
3290.34 0.00088194 4.45694707    0.004372 -0.000819    0.007991
$end

G16：基于S0结构
1 56.97 0.4579
2 73.25 0.4287
3 76.73 0.1797
4 84.46 0.8615
5 96.51 3.7837
6 123.10 2.9178
7 145.74 1.7679
8 149.34 0.5811
9 181.36 2.9913
10 195.51 1.4563
11 215.86 9.0584
12 235.28 4.2514
13 266.10 2.4862
14 281.81 6.7752
15 288.29 2.2434
16 297.65 79.3217
17 333.26 0.0930
18 350.13 5.8826
19 359.00 10.9778
20 362.24 5.9687
21 412.90 67.5990
22 415.13 3.5599
23 450.42 16.7401
24 461.67 118.3411
25 484.62 6.8662
26 505.53 3.4720
27 545.89 7.7210
28 550.62 2.6358
29 560.87 0.4844
30 576.73 89.5099
31 623.38 91.8121
32 632.31 3.2517
33 662.23 0.2705
34 663.35 67.6073
35 676.50 1.2999
36 695.88 47.4447
37 718.87 1.4413
38 752.67 12.1432
39 787.01 26.1773
40 789.83 1.5463
41 802.70 0.6863
42 818.21 2.3690
43 839.85 9.4273
44 852.93 93.6538
45 862.69 17.6603
46 883.66 2.0308
47 927.03 18.2337
48 928.17 15.1800
49 939.30 14.8275
50 941.71 6.4754
51 953.98 27.8951
52 997.35 10.3288
53 1019.79 252.4926
54 1049.75 2.1107
55 1055.05 2.4605
56 1066.64 33.0124
57 1081.83 9.5215
58 1083.37 5.0178
59 1093.49 27.4188
60 1098.74 11.8844
61 1136.25 24.5738
62 1143.32 292.8650
63 1155.69 3018.9420
64 1177.89 2.7745
65 1181.34 61.7740
66 1199.05 136.6597
67 1207.91 44.9860
68 1215.93 62.6898
69 1223.98 188.0236
70 1255.65 26.8718
71 1312.39 38.5936
72 1320.91 137.8081
73 1323.01 96.2946
74 1334.00 140.5639
75 1369.26 268.8344
76 1372.85 30.7251
77 1382.50 3.6242
78 1418.64 95.5999
79 1451.01 330.6421
80 1477.56 15.0461
81 1491.43 30.2379
82 1502.49 6.5662
83 1514.63 168.3906
84 1543.45 209.2263
85 1560.56 91.9071
86 1580.17 868.2697
87 1589.44 20.3273
88 1612.25 170.3739
89 1624.84 41.4553
90 1655.47 494.7854
91 1678.87 70.6887
92 3172.08 20.2133
93 3188.56 4.6315
94 3191.06 6.9198
95 3239.75 0.5423
96 3245.05 0.6791
97 3255.55 1.3929
98 3259.39 6.5433
99 3262.74 0.5955
100 3267.61 0.6778
101 3279.78 3.6261
102 3291.24 5.7839

作者
Author: wzkchem5 时间: 2024-10-18 13:55
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