circumbiphenyl_anion.txt 19.4 KB
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601
       0.0000000       0.0000000
     0.050000000    0.0090993746
      0.10000000     0.040734554
      0.15000000     0.091973775
      0.20000000      0.16852869
      0.25000000      0.28712854
      0.30000000      0.44258762
      0.35000000      0.65945355
      0.40000000      0.98387108
      0.45000000       1.4334812
      0.50000000       2.1036188
      0.55000000       3.1473519
      0.60000000       4.7039615
      0.65000000       6.9895196
      0.70000000       9.7494103
      0.75000000       11.648955
      0.80000000       11.562821
      0.85000000       10.157738
      0.90000000       8.8897877
      0.95000000       8.3705268
       1.0000000       8.4752978
       1.0500000       8.6776607
       1.1000000       8.2514022
       1.1500000       7.1858465
       1.2000000       6.1574729
       1.2500000       5.4422121
       1.3000000       4.9761920
       1.3500000       4.8355205
       1.4000000       4.9317680
       1.4500000       5.1782348
       1.5000000       5.7676422
       1.5500000       6.7139649
       1.6000000       8.0254600
       1.6500000       9.9666628
       1.7000000       12.114718
       1.7500000       13.372236
       1.8000000       13.451026
       1.8500000       13.075248
       1.9000000       13.111154
       1.9500000       14.201289
       2.0000000       16.517639
       2.0500000       20.160891
       2.1000000       25.664878
       2.1500000       32.346344
       2.2000000       37.277050
       2.2500000       38.343702
       2.3000000       36.714003
       2.3500000       34.688738
       2.4000000       33.303206
       2.4500000       32.934091
       2.5000000       34.396137
       2.5500000       38.671155
       2.6000000       46.409799
       2.6500000       58.283320
       2.7000000       74.335626
       2.7500000       91.810450
       2.8000000       107.80932
       2.8500000       125.87676
       2.9000000       150.55883
       2.9500000       172.52754
       3.0000000       173.80090
       3.0500000       152.16832
       3.1000000       124.63927
       3.1500000       104.39942
       3.2000000       89.947913
       3.2500000       76.568403
       3.3000000       64.305058
       3.3500000       54.815430
       3.4000000       48.820079
       3.4500000       46.181904
       3.5000000       45.870939
       3.5500000       46.759034
       3.6000000       47.979250
       3.6500000       48.535724
       3.7000000       48.307974
       3.7500000       48.429476
       3.8000000       49.270673
       3.8500000       49.785547
       3.9000000       49.464785
       3.9500000       49.142538
       4.0000000       49.815724
       4.0500000       51.911687
       4.1000000       55.522691
       4.1500000       60.739783
       4.2000000       67.800228
       4.2500000       76.944641
       4.3000000       88.451440
       4.3500000       102.92113
       4.4000000       119.81596
       4.4500000       134.87935
       4.5000000       142.54774
       4.5500000       143.33197
       4.6000000       144.87002
       4.6500000       153.91064
       4.7000000       172.75131
       4.7500000       204.21438
       4.8000000       251.38862
       4.8500000       308.21055
       4.9000000       356.18150
       4.9500000       376.71604
       5.0000000       367.27773
       5.0500000       342.50069
       5.1000000       320.17979
       5.1500000       310.90373
       5.2000000       318.15163
       5.2500000       339.20418
       5.3000000       369.12933
       5.3500000       409.62085
       5.4000000       463.28605
       5.4500000       517.11830
       5.5000000       549.81639
       5.5500000       553.88159
       5.6000000       532.43202
       5.6500000       486.52153
       5.7000000       424.43826
       5.7500000       365.52594
       5.8000000       320.41780
       5.8500000       284.88611
       5.9000000       256.34790
       5.9500000       238.78713
       6.0000000       233.07643
       6.0500000       233.71908
       6.1000000       232.89542
       6.1500000       226.83651
       6.2000000       220.25208
       6.2500000       219.69484
       6.3000000       224.21741
       6.3500000       228.51818
       6.4000000       229.58953
       6.4500000       226.30181
       6.5000000       219.00256
       6.5500000       209.77606
       6.6000000       200.08053
       6.6500000       191.85450
       6.7000000       188.78657
       6.7500000       190.48713
       6.8000000       190.48695
       6.8500000       184.17943
       6.9000000       173.27969
       6.9500000       162.29481
       7.0000000       154.77022
       7.0500000       150.69640
       7.1000000       146.38872
       7.1500000       139.13736
       7.2000000       129.99519
       7.2500000       121.30069
       7.3000000       114.81250
       7.3500000       111.36637
       7.4000000       109.99176
       7.4500000       108.78889
       7.5000000       106.72594
       7.5500000       103.81068
       7.6000000       101.15202
       7.6500000       100.46166
       7.7000000       102.05114
       7.7500000       104.58578
       7.8000000       106.60205
       7.8500000       107.08570
       7.9000000       106.22341
       7.9500000       105.65460
       8.0000000       106.48754
       8.0500000       108.60223
       8.1000000       111.57774
       8.1500000       113.77526
       8.2000000       112.96179
       8.2500000       109.69358
       8.3000000       106.55288
       8.3500000       104.55585
       8.4000000       103.67063
       8.4500000       104.15146
       8.5000000       105.35462
       8.5500000       106.26907
       8.6000000       106.90953
       8.6500000       107.39453
       8.7000000       107.63710
       8.7500000       107.99733
       8.8000000       108.54508
       8.8500000       109.20035
       8.9000000       110.73163
       8.9500000       113.69448
       9.0000000       117.68817
       9.0500000       122.34357
       9.1000000       127.13123
       9.1500000       131.19784
       9.2000000       134.72922
       9.2500000       138.78499
       9.3000000       144.14056
       9.3500000       151.57954
       9.4000000       161.52125
       9.4500000       172.84057
       9.5000000       183.35585
       9.5500000       190.88205
       9.6000000       194.33586
       9.6500000       195.09695
       9.7000000       195.46132
       9.7500000       195.77838
       9.8000000       195.67879
       9.8500000       196.08213
       9.9000000       197.49676
       9.9500000       199.08764
       10.000000       200.18419
       10.050000       200.56989
       10.100000       200.55137
       10.150000       201.52415
       10.200000       204.59050
       10.250000       209.56469
       10.300000       216.17365
       10.350000       224.01860
       10.400000       231.92505
       10.450000       239.04378
       10.500000       244.81746
       10.550000       248.04710
       10.600000       248.38634
       10.650000       247.27146
       10.700000       246.04982
       10.750000       245.14312
       10.800000       244.72131
       10.850000       244.73916
       10.900000       245.39989
       10.950000       247.51465
       11.000000       251.38958
       11.050000       256.32480
       11.100000       261.10160
       11.150000       264.28028
       11.200000       265.44411
       11.250000       265.86925
       11.300000       266.48281
       11.350000       267.01735
       11.400000       267.74653
       11.450000       269.37319
       11.500000       271.82342
       11.550000       274.93807
       11.600000       278.69336
       11.650000       282.61109
       11.700000       286.61005
       11.750000       291.15159
       11.800000       296.17974
       11.850000       301.54632
       11.900000       307.28572
       11.950000       312.76130
       12.000000       317.66432
       12.050000       322.93921
       12.100000       328.85050
       12.150000       334.14873
       12.200000       337.72734
       12.250000       339.31394
       12.300000       339.55841
       12.350000       340.30907
       12.400000       343.37338
       12.450000       349.64139
       12.500000       359.73486
       12.550000       373.47463
       12.600000       389.37270
       12.650000       406.22712
       12.700000       423.46559
       12.750000       439.99274
       12.800000       454.92364
       12.850000       467.99877
       12.900000       477.72703
       12.950000       481.28017
       13.000000       477.03396
       13.050000       466.23407
       13.100000       452.67379
       13.150000       440.72159
       13.200000       432.96515
       13.250000       429.87790
       13.300000       430.46490
       13.350000       432.29736
       13.400000       432.95454
       13.450000       432.05055
       13.500000       430.52600
       13.550000       429.27487
       13.600000       429.43183
       13.650000       431.95323
       13.700000       436.68312
       13.750000       443.09382
       13.800000       451.04776
       13.850000       460.39837
       13.900000       470.68015
       13.950000       480.71626
       14.000000       488.73002
       14.050000       493.74324
       14.100000       495.96147
       14.150000       495.80865
       14.200000       494.00509
       14.250000       491.66894
       14.300000       489.40139
       14.350000       487.53337
       14.400000       486.90279
       14.450000       488.34863
       14.500000       492.57030
       14.550000       500.20637
       14.600000       510.81294
       14.650000       523.02677
       14.700000       536.10882
       14.750000       549.91748
       14.800000       564.58740
       14.850000       581.25643
       14.900000       601.31781
       14.950000       624.94459
       15.000000       651.04392
       15.050000       677.10776
       15.100000       699.53888
       15.150000       716.03449
       15.200000       726.73545
       15.250000       733.07708
       15.300000       737.68192
       15.350000       744.07769
       15.400000       754.45193
       15.450000       768.80245
       15.500000       786.09785
       15.550000       804.99905
       15.600000       824.76408
       15.650000       845.86270
       15.700000       868.57115
       15.750000       891.88657
       15.800000       913.89987
       15.850000       931.84615
       15.900000       943.26788
       15.950000       948.20859
       16.000000       948.46799
       16.050000       945.53444
       16.100000       941.06534
       16.150000       937.42311
       16.200000       936.70637
       16.250000       940.44849
       16.300000       948.83056
       16.350000       959.43604
       16.400000       968.97244
       16.450000       976.00445
       16.500000       980.87345
       16.550000       984.87241
       16.600000       989.77580
       16.650000       996.28865
       16.700000       1003.2563
       16.750000       1008.5233
       16.800000       1009.5112
       16.850000       1004.2269
       16.900000       992.67568
       16.950000       976.21666
       17.000000       956.36748
       17.050000       935.03032
       17.100000       913.94889
       17.150000       893.74629
       17.200000       874.68776
       17.250000       857.11686
       17.300000       840.73942
       17.350000       824.98872
       17.400000       809.53840
       17.450000       794.07418
       17.500000       778.97692
       17.550000       765.68340
       17.600000       755.47856
       17.650000       749.08791
       17.700000       746.89745
       17.750000       748.25592
       17.800000       751.83194
       17.850000       756.93582
       17.900000       763.24122
       17.950000       770.26410
       18.000000       777.72491
       18.050000       784.95999
       18.100000       790.56585
       18.150000       793.61099
       18.200000       793.95417
       18.250000       791.66456
       18.300000       787.31802
       18.350000       781.65619
       18.400000       774.69039
       18.450000       766.32880
       18.500000       756.90875
       18.550000       746.64500
       18.600000       735.94001
       18.650000       725.65211
       18.700000       716.22035
       18.750000       707.74205
       18.800000       700.43892
       18.850000       693.99449
       18.900000       687.72165
       18.950000       681.47332
       19.000000       675.06182
       19.050000       667.95516
       19.100000       660.22652
       19.150000       652.42179
       19.200000       645.01475
       19.250000       638.75106
       19.300000       634.25086
       19.350000       631.49586
       19.400000       630.57935
       19.450000       631.66269
       19.500000       634.26513
       19.550000       637.96736
       19.600000       642.79648
       19.650000       648.51613
       19.700000       654.94409
       19.750000       662.20149
       19.800000       669.80390
       19.850000       676.80811
       19.900000       682.46849
       19.950000       685.77339
       20.000000       685.81181
       20.050000       682.74618
       20.100000       677.14508
       20.150000       669.41242
       20.200000       660.34360
       20.250000       650.71647
       20.300000       640.85883
       20.350000       631.35427
       20.400000       622.82072
       20.450000       615.33795
       20.500000       609.14047
       20.550000       604.63954
       20.600000       601.69978
       20.650000       600.12581
       20.700000       599.90628
       20.750000       600.58900
       20.800000       601.71514
       20.850000       603.21411
       20.900000       604.73943
       20.950000       605.95009
       21.000000       606.98513
       21.050000       607.69712
       21.100000       607.76261
       21.150000       607.48455
       21.200000       607.17356
       21.250000       606.81062
       21.300000       606.71293
       21.350000       607.08977
       21.400000       607.62504
       21.450000       608.22909
       21.500000       608.86168
       21.550000       609.05632
       21.600000       608.68789
       21.650000       607.98908
       21.700000       606.77659
       21.750000       604.87736
       21.800000       602.29249
       21.850000       598.60781
       21.900000       593.60381
       21.950000       587.71513
       22.000000       581.16313
       22.050000       574.01221
       22.100000       566.71603
       22.150000       559.58559
       22.200000       552.83895
       22.250000       547.07064
       22.300000       542.47934
       22.350000       538.65893
       22.400000       535.41220
       22.450000       532.45304
       22.500000       529.20229
       22.550000       525.67091
       22.600000       522.22771
       22.650000       518.95318
       22.700000       516.14147
       22.750000       514.09515
       22.800000       512.42752
       22.850000       510.77671
       22.900000       509.17384
       22.950000       507.43962
       23.000000       505.54514
       23.050000       503.81933
       23.100000       502.10413
       23.150000       500.05929
       23.200000       497.82346
       23.250000       495.40396
       23.300000       492.70530
       23.350000       490.10360
       23.400000       487.77118
       23.450000       485.45961
       23.500000       483.21061
       23.550000       480.95319
       23.600000       478.22820
       23.650000       475.02061
       23.700000       471.57961
       23.750000       467.88981
       23.800000       464.23148
       23.850000       460.97999
       23.900000       457.90412
       23.950000       454.79642
       24.000000       451.71141
       24.050000       448.34284
       24.100000       444.54146
       24.150000       440.63543
       24.200000       436.62769
       24.250000       432.40372
       24.300000       428.21927
       24.350000       424.05603
       24.400000       419.75340
       24.450000       415.66590
       24.500000       412.01855
       24.550000       408.70377
       24.600000       405.95791
       24.650000       403.90538
       24.700000       402.24250
       24.750000       400.98354
       24.800000       400.19436
       24.850000       399.50250
       24.900000       398.80333
       24.950000       398.19671
       25.000000       397.37790
       25.050000       396.24077
       25.100000       395.00121
       25.150000       393.49163
       25.200000       391.61179
       25.250000       389.64377
       25.300000       387.49868
       25.350000       384.98076
       25.400000       382.27845
       25.450000       379.30539
       25.500000       375.85011
       25.550000       372.22251
       25.600000       368.63882
       25.650000       365.06427
       25.700000       361.87132
       25.750000       359.33950
       25.800000       357.31807
       25.850000       355.93947
       25.900000       355.31347
       25.950000       355.04346
       26.000000       354.93772
       26.050000       354.96479
       26.100000       354.68527
       26.150000       353.89060
       26.200000       352.73738
       26.250000       351.05364
       26.300000       348.80537
       26.350000       346.36978
       26.400000       343.77686
       26.450000       340.99149
       26.500000       338.38869
       26.550000       336.04346
       26.600000       333.83617
       26.650000       332.05146
       26.700000       330.76286
       26.750000       329.72416
       26.800000       329.06047
       26.850000       328.78680
       26.900000       328.52813
       26.950000       328.25044
       27.000000       327.97494
       27.050000       327.34125
       27.100000       326.32413
       27.150000       325.11713
       27.200000       323.51425
       27.250000       321.51404
       27.300000       319.40590
       27.350000       317.07750
       27.400000       314.49482
       27.450000       311.97435
       27.500000       309.44655
       27.550000       306.77424
       27.600000       304.21168
       27.650000       301.71389
       27.700000       299.06097
       27.750000       296.45634
       27.800000       293.90330
       27.850000       291.13696
       27.900000       288.31756
       27.950000       285.55232
       28.000000       282.62390
       28.050000       279.70938
       28.100000       277.03597
       28.150000       274.41634
       28.200000       271.94328
       28.250000       269.85390
       28.300000       267.94048
       28.350000       266.17248
       28.400000       264.77676
       28.450000       263.55790
       28.500000       262.40234
       28.550000       261.54397
       28.600000       260.84088
       28.650000       260.10720
       28.700000       259.55858
       28.750000       259.11632
       28.800000       258.55727
       28.850000       258.10311
       28.900000       257.78528
       28.950000       257.37920
       29.000000       257.07194
       29.050000       256.95955
       29.100000       256.79396
       29.150000       256.70739
       29.200000       256.86819
       29.250000       257.04567
       29.300000       257.31111
       29.350000       257.88641
       29.400000       258.56100
       29.450000       259.32018
       29.500000       260.38929
       29.550000       261.55601
       29.600000       262.68260
       29.650000       263.96545
       29.700000       265.22916
       29.750000       266.28426
       29.800000       267.36174
       29.850000       268.40861
       29.900000       269.24063
       29.950000       270.11199
       30.000000       271.07199