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Geometry for C19H16 (Triphenylmethane) 1A C3

1910171554
InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H INChIKey=AAAQKTZKLRYKHR-UHFFFAOYSA-N

HF/6-31G


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7274   -0.0000 -0.0000 0.7274
H2 0.0000 0.0000 1.8134   -0.0000 -0.0000 1.8134
C3 0.0000 1.4740 0.3121   0.4181 -1.4135 0.3121
C4 1.2765 -0.7370 0.3121   1.0150 1.0689 0.3121
C5 -1.2765 -0.7370 0.3121   -1.4332 0.3446 0.3121
C6 0.6848 1.9455 -0.8027   1.2086 -1.6713 -0.8027
C7 1.3424 -1.5658 -0.8027   0.8431 1.8823 -0.8027
C8 -2.0272 -0.3797 -0.8027   -2.0516 -0.2110 -0.8027
C9 -0.7290 2.3855 1.0755   -0.0224 -2.4943 1.0755
C10 2.4304 -0.5614 1.0755   2.1713 1.2278 1.0755
C11 -1.7014 -1.8241 1.0755   -2.1489 1.2665 1.0755
C12 0.6368 3.2906 -1.1491   1.5441 -2.9747 -1.1491
C13 2.5313 -2.1968 -1.1491   1.8042 2.8246 -1.1491
C14 -3.1681 -1.0938 -1.1491   -3.3483 0.1502 -1.1491
C15 -0.7765 3.7273 0.7347   0.3128 -3.7945 0.7347
C16 3.6162 -1.1912 0.7347   3.1297 2.1681 0.7347
C17 -2.8397 -2.5361 0.7347   -3.4425 1.6264 0.7347
C18 -0.0922 4.1858 -0.3833   1.0990 -4.0400 -0.3833
C19 3.6711 -2.0131 -0.3833   2.9493 2.9718 -0.3833
C20 -3.5790 -2.1728 -0.3833   -4.0483 1.0682 -0.3833
H21 1.2652 1.2695 -1.3985   1.5733 -0.8584 -1.3985
H22 0.4668 -1.7304 -1.3985   -0.0433 1.7917 -1.3985
H23 -1.7320 0.4609 -1.3985   -1.5301 -0.9333 -1.3985
H24 -1.2659 2.0393 1.9394   -0.6354 -2.3146 1.9394
H25 2.3990 0.0767 1.9394   2.3222 0.6070 1.9394
H26 -1.1331 -2.1159 1.9394   -1.6868 1.7075 1.9394
H27 1.1731 3.6342 -2.0131   2.1558 -3.1521 -2.0131
H28 2.5608 -2.8330 -2.0131   1.6519 3.4431 -2.0131
H29 -3.7339 -0.8012 -2.0131   -3.8078 -0.2909 -2.0131
H30 -1.3418 4.4116 1.3382   -0.0352 -4.6110 1.3382
H31 4.4914 -1.0438 1.3382   4.0108 2.2750 1.3382
H32 -3.1496 -3.3678 1.3382   -3.9756 2.3360 1.3382
H33 -0.1251 5.2249 -0.6492   1.3622 -5.0458 -0.6492
H34 4.5875 -2.5041 -0.6492   3.6887 3.7026 -0.6492
H35 -4.4624 -2.7208 -0.6492   -5.0509 1.3432 -0.6492
Atom - Atom Distances (Å)
  C1 H2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16 C17 C18 C19 C20 H21 H22 H23 H24 H25 H26 H27 H28 H29 H30 H31 H32 H33 H34 H35
C1 1.0860 1.5314 1.5314 1.5314 2.5681 2.5681 2.5681 2.5186 2.5186 2.5186 3.8412 3.8412 3.8412 3.8073 3.8073 3.8073 4.3317 4.3317 4.3317 2.7806 2.7806 2.7806 2.6889 2.6889 2.6889 4.7004 4.7004 4.7004 4.6514 4.6514 4.6514 5.4047 5.4047 5.4047
H2 1.0860 2.1039 2.1039 2.1039 3.3313 3.3313 3.3313 2.6012 2.6012 2.6012 4.4732 4.4732 4.4732 3.9572 3.9572 3.9572 4.7281 4.7281 4.7281 3.6781 3.6781 3.6781 2.4035 2.4035 2.4035 5.4060 5.4060 5.4060 4.6355 4.6355 4.6355 5.7775 5.7775 5.7775
C3 1.5314 2.1039 2.5531 2.5531 1.3907 3.5050 2.9646 1.3946 3.2607 3.7888 2.4167 4.6923 4.3320 2.4205 4.5121 4.9319 2.8011 5.1108 5.1567 2.1375 3.6623 2.6367 2.1377 3.2180 4.1012 3.3837 5.5240 4.9523 3.3886 5.2502 5.8666 3.8742 6.1477 6.1995
C4 1.5314 2.1039 2.5531 2.5531 2.9646 1.3907 3.5050 3.7888 1.3946 3.2607 4.3320 2.4167 4.6923 4.9319 2.4205 4.5121 5.1567 2.8011 5.1108 2.6367 2.1375 3.6623 4.1012 2.1377 3.2180 4.9523 3.3837 5.5240 5.8666 3.3886 5.2502 6.1995 3.8742 6.1477
C5 1.5314 2.1039 2.5531 2.5531 3.5050 2.9646 1.3907 3.2607 3.7888 1.3946 4.6923 4.3320 2.4167 4.5121 4.9319 2.4205 5.1108 5.1567 2.8011 3.6623 2.6367 2.1375 3.2180 4.1012 2.1377 5.5240 4.9523 3.3837 5.2502 5.8666 3.3886 6.1477 6.1995 3.8742
C6 2.5681 3.3313 1.3907 2.9646 3.5050 3.5723 3.5723 2.3917 3.5859 4.8406 1.3898 4.5484 4.9196 2.7702 4.5602 5.9051 2.4081 4.9764 5.9427 1.0718 3.7302 2.8982 3.3664 3.7350 5.2267 2.1343 5.2743 5.3417 3.8435 5.2924 6.8933 3.3815 5.9206 6.9492
C7 2.5681 3.3313 3.5050 1.3907 2.9646 3.5723 3.5723 4.8406 2.3917 3.5859 4.9196 1.3898 4.5484 5.9051 2.7702 4.5602 5.9427 2.4081 4.9764 2.8982 1.0718 3.7302 5.2267 3.3664 3.7350 5.3417 2.1343 5.2743 6.8933 3.8435 5.2924 6.9492 3.3815 5.9206
C8 2.5681 3.3313 2.9646 3.5050 1.3907 3.5723 3.5723 3.5859 4.8406 2.3917 4.5484 4.9196 1.3898 4.5602 5.9051 2.7702 4.9764 5.9427 2.4081 3.7302 2.8982 1.0718 3.7350 5.2267 3.3664 5.2743 5.3417 2.1343 5.2924 6.8933 3.8435 5.9206 6.9492 3.3815
C9 2.5186 2.6012 1.3946 3.7888 3.2607 2.3917 4.8406 3.5859 4.3204 4.3204 2.7629 6.0478 4.7962 1.3853 5.6383 5.3659 2.4031 6.3904 5.5703 3.3680 4.9489 3.2910 1.0744 3.9827 4.6013 3.8362 6.8989 5.3594 2.1330 6.2516 6.2473 3.3767 7.4262 6.5564
C10 2.5186 2.6012 3.2607 1.3946 3.7888 3.5859 2.3917 4.8406 4.3204 4.3204 4.7962 2.7629 6.0478 5.3659 1.3853 5.6383 5.5703 2.4031 6.3904 3.2910 3.3680 4.9489 4.6013 1.0744 3.9827 5.3594 3.8362 6.8989 6.2473 2.1330 6.2516 6.5564 3.3767 7.4262
C11 2.5186 2.6012 3.7888 3.2607 1.3946 4.8406 3.5859 2.3917 4.3204 4.3204 6.0478 4.7962 2.7629 5.6383 5.3659 1.3853 6.3904 5.5703 2.4031 4.9489 3.2910 3.3680 3.9827 4.6013 1.0744 6.8989 5.3594 3.8362 6.2516 6.2473 2.1330 7.4262 6.5564 3.3767
C12 3.8412 4.4732 2.4167 4.3320 4.6923 1.3898 4.9196 4.5484 2.7629 4.7962 6.0478 5.8052 5.8052 2.3951 5.7019 7.0417 1.3854 6.1581 6.9431 2.1312 5.0300 3.6986 3.8373 4.7931 6.4731 1.0734 6.4766 6.0491 3.3702 6.3112 8.0534 2.1383 7.0311 7.8986
C13 3.8412 4.4732 4.6923 2.4167 4.3320 4.5484 1.3898 4.9196 6.0478 2.7629 4.7962 5.8052 5.8052 7.0417 2.3951 5.7019 6.9431 1.3854 6.1581 3.6986 2.1312 5.0300 6.4731 3.8373 4.7931 6.0491 1.0734 6.4766 8.0534 3.3702 6.3112 7.8986 2.1383 7.0311
C14 3.8412 4.4732 4.3320 4.6923 2.4167 4.9196 4.5484 1.3898 4.7962 6.0478 2.7629 5.8052 5.8052 5.7019 7.0417 2.3951 6.1581 6.9431 1.3854 5.0300 3.6986 2.1312 4.7931 6.4731 3.8373 6.4766 6.0491 1.0734 6.3112 8.0534 3.3702 7.0311 7.8986 2.1383
C15 3.8073 3.9572 2.4205 4.9319 4.5121 2.7702 5.9051 4.5602 1.3853 5.3659 5.6383 2.3951 7.0417 5.7019 6.5945 6.5945 1.3887 7.3474 6.6268 3.8419 5.9902 4.0165 2.1308 4.9862 5.9768 3.3704 7.8566 6.0666 1.0733 7.1329 7.5058 2.1406 8.3377 7.5551
C16 3.8073 3.9572 4.5121 2.4205 4.9319 4.5602 2.7702 5.9051 5.6383 1.3853 5.3659 5.7019 2.3951 7.0417 6.5945 6.5945 6.6268 1.3887 7.3474 4.0165 3.8419 5.9902 5.9768 2.1308 4.9862 6.0666 3.3704 7.8566 7.5058 1.0733 7.1329 7.5551 2.1406 8.3377
C17 3.8073 3.9572 4.9319 4.5121 2.4205 5.9051 4.5602 2.7702 5.3659 5.6383 1.3853 7.0417 5.7019 2.3951 6.5945 6.5945 7.3474 6.6268 1.3887 5.9902 4.0165 3.8419 4.9862 5.9768 2.1308 7.8566 6.0666 3.3704 7.1329 7.5058 1.0733 8.3377 7.5551 2.1406
C18 4.3317 4.7281 2.8011 5.1567 5.1108 2.4081 5.9427 4.9764 2.4031 5.5703 6.3904 1.3854 6.9431 6.1581 1.3887 6.6268 7.3474 7.2519 7.2519 3.3732 6.0287 4.1946 3.3735 5.3373 6.7964 2.1357 7.6785 6.3866 2.1392 7.1639 8.3288 1.0731 8.1686 8.1775
C19 4.3317 4.7281 5.1108 2.8011 5.1567 4.9764 2.4081 5.9427 6.3904 2.4031 5.5703 6.1581 1.3854 6.9431 7.3474 1.3887 6.6268 7.2519 7.2519 4.1946 3.3732 6.0287 6.7964 3.3735 5.3373 6.3866 2.1357 7.6785 8.3288 2.1392 7.1639 8.1775 1.0731 8.1686
C20 4.3317 4.7281 5.1567 5.1108 2.8011 5.9427 4.9764 2.4081 5.5703 6.3904 2.4031 6.9431 6.1581 1.3854 6.6268 7.3474 1.3887 7.2519 7.2519 6.0287 4.1946 3.3732 5.3373 6.7964 3.3735 7.6785 6.3866 2.1357 7.1639 8.3288 2.1392 8.1686 8.1775 1.0731
H21 2.7806 3.6781 2.1375 2.6367 3.6623 1.0718 2.8982 3.7302 3.3680 3.2910 4.9489 2.1312 3.6986 5.0300 3.8419 4.0165 5.9902 3.3732 4.1946 6.0287 3.1043 3.1043 4.2592 3.7215 5.3248 2.4451 4.3459 5.4457 4.9152 4.8218 6.9631 4.2591 5.0832 7.0206
H22 2.7806 3.6781 3.6623 2.1375 2.6367 3.7302 1.0718 2.8982 4.9489 3.3680 3.2910 5.0300 2.1312 3.6986 5.9902 3.8419 4.0165 6.0287 3.3732 4.1946 3.1043 3.1043 5.3248 4.2592 3.7215 5.4457 2.4451 4.3459 6.9631 4.9152 4.8218 7.0206 4.2591 5.0832
H23 2.7806 3.6781 2.6367 3.6623 2.1375 2.8982 3.7302 1.0718 3.2910 4.9489 3.3680 3.6986 5.0300 2.1312 4.0165 5.9902 3.8419 4.1946 6.0287 3.3732 3.1043 3.1043 3.7215 5.3248 4.2592 4.3459 5.4457 2.4451 4.8218 6.9631 4.9152 5.0832 7.0206 4.2591
H24 2.6889 2.4035 2.1377 4.1012 3.2180 3.3664 5.2267 3.7350 1.0744 4.6013 3.9827 3.8373 6.4731 4.7931 2.1308 5.9768 4.9862 3.3735 6.7964 5.3373 4.2592 5.3248 3.7215 4.1573 4.1573 4.9106 7.3488 5.4572 2.4485 6.5584 5.7573 4.2604 7.8489 6.2910
H25 2.6889 2.4035 3.2180 2.1377 4.1012 3.7350 3.3664 5.2267 3.9827 1.0744 4.6013 4.7931 3.8373 6.4731 4.9862 2.1308 5.9768 5.3373 3.3735 6.7964 3.7215 4.2592 5.3248 4.1573 4.1573 5.4572 4.9106 7.3488 5.7573 2.4485 6.5584 6.2910 4.2604 7.8489
H26 2.6889 2.4035 4.1012 3.2180 2.1377 5.2267 3.7350 3.3664 4.6013 3.9827 1.0744 6.4731 4.7931 3.8373 5.9768 4.9862 2.1308 6.7964 5.3373 3.3735 5.3248 3.7215 4.2592 4.1573 4.1573 7.3488 5.4572 4.9106 6.5584 5.7573 2.4485 7.8489 6.2910 4.2604
H27 4.7004 5.4060 3.3837 4.9523 5.5240 2.1343 5.3417 5.2743 3.8362 5.3594 6.8989 1.0734 6.0491 6.4766 3.3704 6.0666 7.8566 2.1357 6.3866 7.6785 2.4451 5.4457 4.3459 4.9106 5.4572 7.3488 6.6145 6.6145 4.2614 6.6427 8.8851 2.4649 7.1552 8.6026
H28 4.7004 5.4060 5.5240 3.3837 4.9523 5.2743 2.1343 5.3417 6.8989 3.8362 5.3594 6.4766 1.0734 6.0491 7.8566 3.3704 6.0666 7.6785 2.1357 6.3866 4.3459 2.4451 5.4457 7.3488 4.9106 5.4572 6.6145 6.6145 8.8851 4.2614 6.6427 8.6026 2.4649 7.1552
H29 4.7004 5.4060 4.9523 5.5240 3.3837 5.3417 5.2743 2.1343 5.3594 6.8989 3.8362 6.0491 6.4766 1.0734 6.0666 7.8566 3.3704 6.3866 7.6785 2.1357 5.4457 4.3459 2.4451 5.4572 7.3488 4.9106 6.6145 6.6145 6.6427 8.8851 4.2614 7.1552 8.6026 2.4649
H30 4.6514 4.6355 3.3886 5.8666 5.2502 3.8435 6.8933 5.2924 2.1330 6.2473 6.2516 3.3702 8.0534 6.3112 1.0733 7.5058 7.1329 2.1392 8.3288 7.1639 4.9152 6.9631 4.8218 2.4485 5.7573 6.5584 4.2614 8.8851 6.6427 7.9867 7.9867 2.4681 9.3238 8.0349
H31 4.6514 4.6355 5.2502 3.3886 5.8666 5.2924 3.8435 6.8933 6.2516 2.1330 6.2473 6.3112 3.3702 8.0534 7.1329 1.0733 7.5058 7.1639 2.1392 8.3288 4.8218 4.9152 6.9631 6.5584 2.4485 5.7573 6.6427 4.2614 8.8851 7.9867 7.9867 8.0349 2.4681 9.3238
H32 4.6514 4.6355 5.8666 5.2502 3.3886 6.8933 5.2924 3.8435 6.2473 6.2516 2.1330 8.0534 6.3112 3.3702 7.5058 7.1329 1.0733 8.3288 7.1639 2.1392 6.9631 4.8218 4.9152 5.7573 6.5584 2.4485 8.8851 6.6427 4.2614 7.9867 7.9867 9.3238 8.0349 2.4681
H33 5.4047 5.7775 3.8742 6.1995 6.1477 3.3815 6.9492 5.9206 3.3767 6.5564 7.4262 2.1383 7.8986 7.0311 2.1406 7.5551 8.3377 1.0731 8.1775 8.1686 4.2591 7.0206 5.0832 4.2604 6.2910 7.8489 2.4649 8.6026 7.1552 2.4681 8.0349 9.3238 9.0524 9.0524
H34 5.4047 5.7775 6.1477 3.8742 6.1995 5.9206 3.3815 6.9492 7.4262 3.3767 6.5564 7.0311 2.1383 7.8986 8.3377 2.1406 7.5551 8.1686 1.0731 8.1775 5.0832 4.2591 7.0206 7.8489 4.2604 6.2910 7.1552 2.4649 8.6026 9.3238 2.4681 8.0349 9.0524 9.0524
H35 5.4047 5.7775 6.1995 6.1477 3.8742 6.9492 5.9206 3.3815 6.5564 7.4262 3.3767 7.8986 7.0311 2.1383 7.5551 8.3377 2.1406 8.1775 8.1686 1.0731 7.0206 5.0832 4.2591 6.2910 7.8489 4.2604 8.6026 7.1552 2.4649 8.0349 9.3238 2.4681 9.0524 9.0524
Maximum atom distance is 9.3238Å between atoms H30 and H34.
picture of Triphenylmethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C6 122.935 C1 C3 C9 118.726
C1 C4 C7 122.935 C1 C4 C10 118.726
C1 C5 C8 122.935 C1 C5 C11 118.726
C3 C1 C4 112.935 C3 C1 C5 112.935
C3 C6 C12 120.724 C3 C9 C15 121.084
C4 C1 C5 112.935 C4 C7 C13 120.724
C4 C10 C16 121.084 C5 C8 C14 120.724
C5 C11 C17 121.084 C6 C3 C9 118.336
C6 C12 C18 120.386 C7 C4 C10 118.336
C7 C13 C19 120.386 C8 C5 C11 118.336
C8 C14 C20 120.386 C9 C15 C18 120.069
C10 C16 C19 120.069 C11 C17 C20 120.069
C12 C18 C15 119.401 C13 C19 C16 119.401
C14 C20 C17 119.401
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 C3 105.735 H2 C1 C4 105.735
H2 C1 C5 105.735 C3 C6 H21 119.897
C3 C9 H24 119.387 C4 C7 H22 119.897
C4 C10 H25 119.387 C5 C8 H23 119.897
C5 C11 H26 119.387 C6 C12 H27 119.553
C7 C13 H28 119.553 C8 C14 H29 119.553
C9 C15 H30 119.816 C10 C16 H31 119.816
C11 C17 H32 119.816 C12 C5 H21 26.011
C12 C18 H33 120.327 C13 C7 H22 119.377
C13 C19 H34 120.327 C14 C8 H23 119.377
C14 C20 H35 120.327 C15 C9 H24 119.529
C15 C18 H33 120.271 C16 C10 H25 119.529
C16 C19 H34 120.271 C17 C11 H26 119.529
C17 C20 H35 120.271 C18 C12 H27 120.061
C18 C15 H30 120.114 C19 C13 H28 120.061
C19 C16 H31 120.114 C20 C14 H29 120.061
C20 C17 H32 120.114

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.