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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(2df,p)


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7156   0.0000 -0.0000 0.7156
H2 0.0000 0.0000 1.8012   0.0000 -0.0000 1.8012
C3 0.0000 1.4735 0.3048   1.1749 0.8893 0.3048
C4 1.2761 -0.7368 0.3048   0.1827 -1.4622 0.3048
C5 -1.2761 -0.7368 0.3048   -1.3576 0.5728 0.3048
C6 0.6832 1.9502 -0.8026   1.9673 0.6322 -0.8026
C7 1.3473 -1.5668 -0.8026   -0.4361 -2.0199 -0.8026
C8 -2.0305 -0.3834 -0.8026   -1.5312 1.3876 -0.8026
C9 -0.7284 2.3791 1.0684   1.4573 2.0166 1.0684
C10 2.4245 -0.5587 1.0684   1.0178 -2.2704 1.0684
C11 -1.6962 -1.8203 1.0684   -2.4751 0.2538 1.0684
C12 0.6347 3.2930 -1.1414   3.0087 1.4814 -1.1414
C13 2.5345 -2.1962 -1.1414   -0.2214 -3.3463 -1.1414
C14 -3.1692 -1.0969 -1.1414   -2.7873 1.8649 -1.1414
C15 -0.7759 3.7175 0.7357   2.4958 2.8623 0.7357
C16 3.6074 -1.1868 0.7357   1.2309 -3.5926 0.7357
C17 -2.8315 -2.5307 0.7357   -3.7267 0.7303 0.7357
C18 -0.0926 4.1813 -0.3754   3.2780 2.5974 -0.3754
C19 3.6674 -2.0105 -0.3754   0.6104 -4.1375 -0.3754
C20 -3.5748 -2.1708 -0.3754   -3.8884 1.5402 -0.3754
H21 1.2645 1.2771 -1.4046   1.7814 -0.2375 -1.4046
H22 0.4737 -1.7336 -1.4046   -1.0964 -1.4240 -1.4046
H23 -1.7382 0.4566 -1.4046   -0.6851 1.6615 -1.4046
H24 -1.2667 2.0287 1.9325   0.8531 2.2344 1.9325
H25 2.3903 0.0826 1.9325   1.5085 -1.8560 1.9325
H26 -1.1236 -2.1114 1.9325   -2.3616 -0.3784 1.9325
H27 1.1734 3.6413 -2.0049   3.6115 1.2621 -2.0049
H28 2.5668 -2.8368 -2.0049   -0.7128 -3.7587 -2.0049
H29 -3.7402 -0.8045 -2.0049   -2.8988 2.4966 -2.0049
H30 -1.3434 4.3994 1.3441   2.6970 3.7263 1.3441
H31 4.4817 -1.0363 1.3441   1.8786 -4.1988 1.3441
H32 -3.1383 -3.3631 1.3441   -4.5756 0.4725 1.3441
H33 -0.1252 5.2240 -0.6363   4.0897 3.2528 -0.6363
H34 4.5868 -2.5035 -0.6363   0.7721 -5.1682 -0.6363
H35 -4.4615 -2.7205 -0.6363   -4.8618 1.9154 -0.6363
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 1.0856 1.5297 1.5297 1.5297 2.5642 2.5642 2.5642 2.5130 2.5130 2.5130 3.8334 3.8334 3.8334 3.7977 3.7977 3.7977 4.3222 4.3222 4.3222 2.7794 2.7794 2.7794 2.6835 2.6835 2.6835 4.6944 4.6944 4.6944 4.6427 4.6427 4.6427 5.3976 5.3976 5.3976
H2 1.0856 2.1001 2.1001 2.1001 3.3241 3.3241 3.3241 2.5938 2.5938 2.5938 4.4616 4.4616 4.4616 3.9442 3.9442 3.9442 4.7148 4.7148 4.7148 3.6752 3.6752 3.6752 2.3953 2.3953 2.3953 5.3966 5.3966 5.3966 4.6226 4.6226 4.6226 5.7661 5.7661 5.7661
C3 1.5297 2.1001 2.5522 2.5522 1.3858 3.5050 2.9661 1.3905 3.2545 3.7828 2.4094 4.6885 4.3292 2.4131 4.5029 4.9231 2.7934 5.1040 5.1501 2.1354 3.6651 2.6416 2.1359 3.2089 4.0943 3.3780 5.5229 4.9511 3.3831 5.2407 5.8585 3.8688 6.1434 6.1952
C4 1.5297 2.1001 2.5522 2.5522 2.9661 1.3858 3.5050 3.7828 1.3905 3.2545 4.3292 2.4094 4.6885 4.9231 2.4131 4.5029 5.1501 2.7934 5.1040 2.6416 2.1354 3.6651 4.0943 2.1359 3.2089 4.9511 3.3780 5.5229 5.8585 3.3831 5.2407 6.1952 3.8688 6.1434
C5 1.5297 2.1001 2.5522 2.5522 3.5050 2.9661 1.3858 3.2545 3.7828 1.3905 4.6885 4.3292 2.4094 4.5029 4.9231 2.4131 5.1040 5.1501 2.7934 3.6651 2.6416 2.1354 3.2089 4.0943 2.1359 5.5229 4.9511 3.3780 5.2407 5.8585 3.3831 6.1434 6.1952 3.8688
C6 2.5642 3.3241 1.3858 2.9661 3.5050 3.5791 3.5791 2.3827 3.5815 4.8352 1.3858 4.5535 4.9235 2.7602 4.5561 5.8990 2.4004 4.9774 5.9411 1.0740 3.7386 2.9081 3.3599 3.7259 5.2193 2.1321 5.2829 5.3479 3.8359 5.2873 6.8879 3.3763 5.9246 6.9506
C7 2.5642 3.3241 3.5050 1.3858 2.9661 3.5791 3.5791 4.8352 2.3827 3.5815 4.9235 1.3858 4.5535 5.8990 2.7602 4.5561 5.9411 2.4004 4.9774 2.9081 1.0740 3.7386 5.2193 3.3599 3.7259 5.3479 2.1321 5.2829 6.8879 3.8359 5.2873 6.9506 3.3763 5.9246
C8 2.5642 3.3241 2.9661 3.5050 1.3858 3.5791 3.5791 3.5815 4.8352 2.3827 4.5535 4.9235 1.3858 4.5561 5.8990 2.7602 4.9774 5.9411 2.4004 3.7386 2.9081 1.0740 3.7259 5.2193 3.3599 5.2829 5.3479 2.1321 5.2873 6.8879 3.8359 5.9246 6.9506 3.3763
C9 2.5130 2.5938 1.3905 3.7828 3.2545 2.3827 4.8352 3.5815 4.3095 4.3095 2.7525 6.0384 4.7878 1.3800 5.6236 5.3516 2.3951 6.3777 5.5577 3.3618 4.9473 3.2912 1.0766 3.9682 4.5899 3.8282 6.8927 5.3527 2.1298 6.2358 6.2335 3.3710 7.4160 6.5458
C10 2.5130 2.5938 3.2545 1.3905 3.7828 3.5815 2.3827 4.8352 4.3095 4.3095 4.7878 2.7525 6.0384 5.3516 1.3800 5.6236 5.5577 2.3951 6.3777 3.2912 3.3618 4.9473 4.5899 1.0766 3.9682 5.3527 3.8282 6.8927 6.2335 2.1298 6.2358 6.5458 3.3710 7.4160
C11 2.5130 2.5938 3.7828 3.2545 1.3905 4.8352 3.5815 2.3827 4.3095 4.3095 6.0384 4.7878 2.7525 5.6236 5.3516 1.3800 6.3777 5.5577 2.3951 4.9473 3.2912 3.3618 3.9682 4.5899 1.0766 6.8927 5.3527 3.8282 6.2358 6.2335 2.1298 7.4160 6.5458 3.3710
C12 3.8334 4.4616 2.4094 4.3292 4.6885 1.3858 4.9235 4.5535 2.7525 4.7878 6.0384 5.8087 5.8087 2.3861 5.6947 7.0324 1.3800 6.1572 6.9398 2.1284 5.0362 3.7075 3.8291 4.7788 6.4612 1.0758 6.4849 6.0560 3.3637 6.3024 8.0447 2.1357 7.0338 7.8987
C13 3.8334 4.4616 4.6885 2.4094 4.3292 4.5535 1.3858 4.9235 6.0384 2.7525 4.7878 5.8087 5.8087 7.0324 2.3861 5.6947 6.9398 1.3800 6.1572 3.7075 2.1284 5.0362 6.4612 3.8291 4.7788 6.0560 1.0758 6.4849 8.0447 3.3637 6.3024 7.8987 2.1357 7.0338
C14 3.8334 4.4616 4.3292 4.6885 2.4094 4.9235 4.5535 1.3858 4.7878 6.0384 2.7525 5.8087 5.8087 5.6947 7.0324 2.3861 6.1572 6.9398 1.3800 5.0362 3.7075 2.1284 4.7788 6.4612 3.8291 6.4849 6.0560 1.0758 6.3024 8.0447 3.3637 7.0338 7.8987 2.1357
C15 3.7977 3.9442 2.4131 4.9231 4.5029 2.7602 5.8990 4.5561 1.3800 5.3516 5.6236 2.3861 7.0324 5.6947 6.5776 6.5777 1.3845 7.3340 6.6136 3.8341 5.9881 4.0176 2.1272 4.9668 5.9606 3.3641 7.8514 6.0619 1.0757 7.1141 7.4891 2.1391 8.3272 7.5441
C16 3.7977 3.9442 4.5029 2.4131 4.9231 4.5561 2.7602 5.8990 5.6236 1.3800 5.3516 5.6947 2.3861 7.0324 6.5776 6.5776 6.6136 1.3845 7.3340 4.0176 3.8341 5.9881 5.9606 2.1272 4.9668 6.0619 3.3641 7.8514 7.4891 1.0757 7.1141 7.5441 2.1391 8.3272
C17 3.7977 3.9442 4.9231 4.5029 2.4131 5.8990 4.5561 2.7602 5.3516 5.6236 1.3800 7.0324 5.6947 2.3861 6.5777 6.5776 7.3340 6.6136 1.3845 5.9881 4.0176 3.8341 4.9668 5.9606 2.1272 7.8514 6.0619 3.3641 7.1141 7.4891 1.0757 8.3272 7.5441 2.1391
C18 4.3222 4.7148 2.7934 5.1501 5.1040 2.4004 5.9411 4.9774 2.3951 5.5577 6.3777 1.3800 6.9398 6.1572 1.3845 6.6136 7.3340 7.2439 7.2439 3.3668 6.0304 4.2001 3.3672 5.3188 6.7813 2.1330 7.6799 6.3889 2.1375 7.1487 8.3157 1.0754 8.1640 8.1725
C19 4.3222 4.7148 5.1040 2.7934 5.1501 4.9774 2.4004 5.9411 6.3777 2.3951 5.5577 6.1572 1.3800 6.9398 7.3340 1.3845 6.6136 7.2439 7.2439 4.2001 3.3668 6.0304 6.7813 3.3672 5.3188 6.3889 2.1330 7.6799 8.3157 2.1375 7.1487 8.1725 1.0754 8.1640
C20 4.3222 4.7148 5.1501 5.1040 2.7934 5.9411 4.9774 2.4004 5.5577 6.3777 2.3951 6.9398 6.1572 1.3800 6.6136 7.3340 1.3845 7.2439 7.2439 6.0304 4.2001 3.3668 5.3188 6.7813 3.3672 7.6799 6.3889 2.1330 7.1487 8.3157 2.1375 8.1640 8.1725 1.0754
H21 2.7794 3.6752 2.1354 2.6416 3.6651 1.0740 2.9081 3.7386 3.3618 3.2912 4.9473 2.1284 3.7075 5.0362 3.8341 4.0176 5.9881 3.3668 4.2001 6.0304 3.1128 3.1128 4.2554 3.7189 5.3217 2.4410 4.3567 5.4534 4.9097 4.8226 6.9622 4.2544 5.0912 7.0255
H22 2.7794 3.6752 3.6651 2.1354 2.6416 3.7386 1.0740 2.9081 4.9473 3.3618 3.2912 5.0362 2.1284 3.7075 5.9881 3.8341 4.0176 6.0304 3.3668 4.2001 3.1128 3.1128 5.3217 4.2554 3.7189 5.4534 2.4410 4.3567 6.9622 4.9097 4.8226 7.0255 4.2544 5.0912
H23 2.7794 3.6752 2.6416 3.6651 2.1354 2.9081 3.7386 1.0740 3.2912 4.9473 3.3618 3.7075 5.0362 2.1284 4.0176 5.9881 3.8341 4.2001 6.0304 3.3668 3.1128 3.1128 3.7189 5.3217 4.2554 4.3567 5.4534 2.4410 4.8226 6.9622 4.9097 5.0912 7.0255 4.2544
H24 2.6835 2.3953 2.1359 4.0943 3.2089 3.3599 5.2193 3.7259 1.0766 4.5899 3.9682 3.8291 6.4612 4.7788 2.1272 5.9606 4.9668 3.3672 6.7813 5.3188 4.2554 5.3217 3.7189 4.1426 4.1426 4.9049 7.3398 5.4450 2.4438 6.5410 5.7377 4.2558 7.8360 6.2738
H25 2.6835 2.3953 3.2089 2.1359 4.0943 3.7259 3.3599 5.2193 3.9682 1.0766 4.5899 4.7788 3.8291 6.4612 4.9668 2.1272 5.9606 5.3188 3.3672 6.7813 3.7189 4.2554 5.3217 4.1426 4.1426 5.4450 4.9049 7.3398 5.7377 2.4438 6.5410 6.2738 4.2558 7.8360
H26 2.6835 2.3953 4.0943 3.2089 2.1359 5.2193 3.7259 3.3599 4.5899 3.9682 1.0766 6.4612 4.7788 3.8291 5.9606 4.9668 2.1272 6.7813 5.3188 3.3672 5.3217 3.7189 4.2554 4.1426 4.1426 7.3398 5.4450 4.9049 6.5410 5.7377 2.4438 7.8360 6.2738 4.2558
H27 4.6944 5.3966 3.3780 4.9511 5.5229 2.1321 5.3479 5.2829 3.8282 5.3527 6.8927 1.0758 6.0560 6.4849 3.3641 6.0619 7.8514 2.1330 6.3889 7.6799 2.4410 5.4534 4.3567 4.9049 5.4450 7.3398 6.6263 6.6263 4.2573 6.6363 8.8808 2.4626 7.1613 8.6080
H28 4.6944 5.3966 5.5229 3.3780 4.9511 5.2829 2.1321 5.3479 6.8927 3.8282 5.3527 6.4849 1.0758 6.0560 7.8514 3.3641 6.0619 7.6799 2.1330 6.3889 4.3567 2.4410 5.4534 7.3398 4.9049 5.4450 6.6263 6.6263 8.8808 4.2573 6.6363 8.6080 2.4626 7.1612
H29 4.6944 5.3966 4.9511 5.5229 3.3780 5.3479 5.2829 2.1321 5.3527 6.8927 3.8282 6.0560 6.4849 1.0758 6.0619 7.8514 3.3641 6.3889 7.6799 2.1330 5.4534 4.3567 2.4410 5.4450 7.3398 4.9049 6.6263 6.6263 6.6363 8.8808 4.2573 7.1612 8.6080 2.4626
H30 4.6427 4.6226 3.3831 5.8585 5.2407 3.8359 6.8879 5.2873 2.1298 6.2335 6.2358 3.3637 8.0447 6.3024 1.0757 7.4891 7.1141 2.1375 8.3157 7.1487 4.9097 6.9622 4.8226 2.4438 5.7377 6.5410 4.2573 8.8808 6.6363 7.9673 7.9673 2.4670 9.3134 8.0211
H31 4.6427 4.6226 5.2407 3.3831 5.8585 5.2873 3.8359 6.8879 6.2358 2.1298 6.2335 6.3024 3.3637 8.0447 7.1141 1.0757 7.4891 7.1487 2.1375 8.3157 4.8226 4.9097 6.9622 6.5410 2.4438 5.7377 6.6363 4.2573 8.8808 7.9673 7.9673 8.0211 2.4670 9.3134
H32 4.6427 4.6226 5.8585 5.2407 3.3831 6.8879 5.2873 3.8359 6.2335 6.2358 2.1298 8.0447 6.3024 3.3637 7.4891 7.1141 1.0757 8.3157 7.1487 2.1375 6.9622 4.8226 4.9097 5.7377 6.5410 2.4438 8.8808 6.6363 4.2573 7.9673 7.9673 9.3134 8.0211 2.4670
H33 5.3976 5.7661 3.8688 6.1952 6.1434 3.3763 6.9506 5.9246 3.3710 6.5458 7.4160 2.1357 7.8987 7.0338 2.1391 7.5441 8.3272 1.0754 8.1725 8.1640 4.2544 7.0255 5.0912 4.2558 6.2738 7.8360 2.4626 8.6080 7.1612 2.4670 8.0211 9.3134 9.0509 9.0509
H34 5.3976 5.7661 6.1434 3.8688 6.1952 5.9246 3.3763 6.9506 7.4160 3.3710 6.5458 7.0338 2.1357 7.8987 8.3272 2.1391 7.5441 8.1640 1.0754 8.1725 5.0912 4.2544 7.0255 7.8360 4.2558 6.2738 7.1613 2.4626 8.6080 9.3134 2.4670 8.0211 9.0509 9.0509
H35 5.3976 5.7661 6.1952 6.1434 3.8688 6.9506 5.9246 3.3763 6.5458 7.4160 3.3710 7.8987 7.0338 2.1357 7.5441 8.3272 2.1391 8.1725 8.1640 1.0754 7.0255 5.0912 4.2544 6.2738 7.8360 4.2558 8.6080 7.1612 2.4626 8.0211 9.3134 2.4670 9.0509 9.0509
Maximum atom distance is 9.3134Å 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 123.086 C1 C3 C9 118.678
C1 C4 C7 123.086 C1 C4 C10 118.677
C1 C5 C8 123.086 C1 C5 C11 118.677
C3 C1 C4 113.070 C3 C1 C5 113.070
C3 C6 C12 120.757 C3 C9 C15 121.151
C4 C1 C5 113.070 C4 C7 C13 120.757
C4 C10 C16 121.151 C5 C8 C14 120.757
C5 C11 C17 121.151 C6 C3 C9 118.233
C6 C12 C18 120.429 C7 C4 C10 118.233
C7 C13 C19 120.429 C8 C5 C11 118.233
C8 C14 C20 120.429 C9 C15 C18 120.091
C10 C16 C19 120.091 C11 C17 C20 120.091
C12 C18 C15 119.338 C13 C19 C16 119.338
C14 C20 C17 119.338
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 C3 105.575 H2 C1 C4 105.575
H2 C1 C5 105.575 C3 C6 H21 119.949
C3 C9 H24 119.385 C4 C7 H22 119.949
C4 C10 H25 119.385 C5 C8 H23 119.949
C5 C11 H26 119.385 C6 C12 H27 119.500
C7 C13 H28 119.500 C8 C14 H29 119.500
C9 C15 H30 119.780 C10 C16 H31 119.780
C11 C17 H32 119.780 C12 C5 H21 26.017
C12 C18 H33 120.360 C13 C7 H22 119.292
C13 C19 H34 120.360 C14 C8 H23 119.292
C14 C20 H35 120.360 C15 C9 H24 119.463
C15 C18 H33 120.301 C16 C10 H25 119.463
C16 C19 H34 120.301 C17 C11 H26 119.463
C17 C20 H35 120.301 C18 C12 H27 120.071
C18 C15 H30 120.129 C19 C13 H28 120.071
C19 C16 H31 120.129 C20 C14 H29 120.071
C20 C17 H32 120.129

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