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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/CEP-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 0.7588   -0.0000 -0.0000 0.7588
H2 0.0000 0.0000 1.8474   -0.0000 -0.0000 1.8474
C3 0.0000 1.4805 0.3335   0.7550 -1.2735 0.3335
C4 1.2821 -0.7402 0.3335   0.7253 1.2906 0.3335
C5 -1.2821 -0.7402 0.3335   -1.4804 -0.0171 0.3335
C6 0.7334 1.9540 -0.7726   1.6274 -1.3068 -0.7726
C7 1.3255 -1.6121 -0.7726   0.3180 2.0627 -0.7726
C8 -2.0589 -0.3419 -0.7726   -1.9454 -0.7560 -0.7726
C9 -0.7877 2.3940 1.0687   0.5433 -2.4610 1.0687
C10 2.4671 -0.5148 1.0687   1.8596 1.7010 1.0687
C11 -1.6794 -1.8792 1.0687   -2.4029 0.7600 1.0687
C12 0.6699 3.3130 -1.1438   2.2658 -2.5082 -1.1438
C13 2.5342 -2.2367 -1.1438   1.0392 3.2164 -1.1438
C14 -3.2041 -1.0764 -1.1438   -3.3051 -0.7082 -1.1438
C15 -0.8487 3.7512 0.7052   1.1830 -3.6595 0.7052
C16 3.6730 -1.1406 0.7052   2.5777 2.8543 0.7052
C17 -2.8243 -2.6106 0.7052   -3.7607 0.8052 0.7052
C18 -0.1191 4.2168 -0.4082   2.0481 -3.6880 -0.4082
C19 3.7114 -2.0053 -0.4082   2.1698 3.6177 -0.4082
C20 -3.5923 -2.2115 -0.4082   -4.2179 0.0703 -0.4082
H21 1.3496 1.2818 -1.3418   1.8146 -0.4143 -1.3418
H22 0.4353 -1.8097 -1.3418   -0.5485 1.7786 -1.3418
H23 -1.7849 0.5278 -1.3418   -1.2661 -1.3643 -1.3418
H24 -1.3543 2.0446 1.9164   -0.1222 -2.4494 1.9164
H25 2.4478 0.1505 1.9164   2.1823 1.1189 1.9164
H26 -1.0935 -2.1951 1.9164   -2.0601 1.3305 1.9164
H27 1.2348 3.6587 -1.9937   2.9281 -2.5174 -1.9937
H28 2.5511 -2.8988 -1.9937   0.7161 3.7945 -1.9937
H29 -3.7860 -0.7600 -1.9937   -3.6442 -1.2771 -1.9937
H30 -1.4533 4.4335 1.2793   1.0109 -4.5548 1.2793
H31 4.5662 -0.9581 1.2793   3.4391 3.1528 1.2793
H32 -3.1128 -3.4754 1.2793   -4.4500 1.4020 1.2793
H33 -0.1628 5.2554 -0.6906   2.5401 -4.6036 -0.6906
H34 4.6327 -2.4867 -0.6906   2.7168 4.5016 -0.6906
H35 -4.4699 -2.7687 -0.6906   -5.2569 0.1020 -0.6906
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 1.0886 1.5403 1.5403 1.5403 2.5887 2.5887 2.5887 2.5392 2.5392 2.5392 3.8787 3.8787 3.8787 3.8463 3.8463 3.8463 4.3769 4.3769 4.3769 2.8065 2.8065 2.8065 2.7119 2.7119 2.7119 4.7421 4.7421 4.7421 4.6946 4.6946 4.6946 5.4540 5.4540 5.4540
H2 1.0886 2.1174 2.1174 2.1174 3.3497 3.3497 3.3497 2.6378 2.6378 2.6378 4.5135 4.5135 4.5135 4.0120 4.0120 4.0120 4.7836 4.7836 4.7836 3.6925 3.6925 3.6925 2.4534 2.4534 2.4534 5.4465 5.4465 5.4465 4.7001 4.7001 4.7001 5.8384 5.8384 5.8384
C3 1.5403 2.1174 2.5642 2.5642 1.4092 3.5419 2.9637 1.4126 3.2570 3.8272 2.4474 4.7352 4.3573 2.4525 4.5275 4.9851 2.8376 5.1454 5.2044 2.1604 3.7177 2.6268 2.1582 3.2041 4.1486 3.4184 5.5769 4.9769 3.4245 5.2622 5.9283 3.9148 6.1846 6.2517
C4 1.5403 2.1174 2.5642 2.5642 2.9637 1.4092 3.5419 3.8273 1.4126 3.2570 4.3573 2.4474 4.7352 4.9851 2.4525 4.5275 5.2044 2.8376 5.1454 2.6268 2.1604 3.7177 4.1486 2.1582 3.2041 4.9769 3.4184 5.5769 5.9283 3.4245 5.2622 6.2517 3.9148 6.1846
C5 1.5403 2.1174 2.5642 2.5642 3.5419 2.9637 1.4092 3.2570 3.8273 1.4126 4.7352 4.3573 2.4474 4.5275 4.9851 2.4525 5.1454 5.2044 2.8376 3.7177 2.6268 2.1604 3.2041 4.1486 2.1582 5.5769 4.9769 3.4184 5.2622 5.9283 3.4245 6.1846 6.2517 3.9148
C6 2.5887 3.3497 1.4092 2.9637 3.5419 3.6150 3.6150 2.4285 3.5343 4.8893 1.4102 4.5763 4.9825 2.8137 4.5168 5.9730 2.4454 4.9676 6.0163 1.0749 3.8181 2.9495 3.4055 3.6637 5.2711 2.1560 5.3240 5.4112 3.8910 5.2327 6.9629 3.4219 5.9103 7.0275
C7 2.5887 3.3497 3.5419 1.4092 2.9637 3.6150 3.6150 4.8893 2.4285 3.5343 4.9825 1.4102 4.5763 5.9730 2.8137 4.5168 6.0163 2.4454 4.9676 2.9495 1.0749 3.8181 5.2711 3.4055 3.6637 5.4112 2.1560 5.3240 6.9629 3.8910 5.2327 7.0275 3.4219 5.9103
C8 2.5887 3.3497 2.9637 3.5419 1.4092 3.6150 3.6150 3.5343 4.8893 2.4285 4.5763 4.9825 1.4102 4.5168 5.9730 2.8137 4.9676 6.0163 2.4454 3.8181 2.9495 1.0749 3.6637 5.2711 3.4055 5.3240 5.4112 2.1560 5.2327 6.9629 3.8910 5.9103 7.0275 3.4219
C9 2.5392 2.6378 1.4126 3.8273 3.2570 2.4285 4.8893 3.5343 4.3652 4.3652 2.8043 6.1134 4.7726 1.4063 5.7029 5.4153 2.4394 6.4635 5.5909 3.4081 4.9977 3.2073 1.0779 4.0274 4.6768 3.8818 6.9670 5.3212 2.1557 6.3202 6.3166 3.4166 7.5031 6.5808
C10 2.5392 2.6378 3.2570 1.4126 3.8273 3.5343 2.4285 4.8893 4.3652 4.3652 4.7726 2.8043 6.1134 5.4153 1.4063 5.7029 5.5909 2.4394 6.4635 3.2073 3.4081 4.9977 4.6768 1.0779 4.0274 5.3212 3.8818 6.9670 6.3166 2.1557 6.3202 6.5808 3.4166 7.5031
C11 2.5392 2.6378 3.8272 3.2570 1.4126 4.8893 3.5343 2.4285 4.3652 4.3652 6.1134 4.7726 2.8043 5.7029 5.4153 1.4063 6.4635 5.5909 2.4394 4.9977 3.2073 3.4081 4.0274 4.6768 1.0779 6.9670 5.3212 3.8818 6.3202 6.3166 2.1557 7.5031 6.5808 3.4166
C12 3.8787 4.5135 2.4474 4.3573 4.7352 1.4102 4.9825 4.5763 2.8043 4.7726 6.1134 5.8545 5.8545 2.4325 5.6809 7.1216 1.4073 6.1706 7.0163 2.1511 5.1319 3.7178 3.8822 4.7463 6.5433 1.0775 6.5458 6.0964 3.4110 6.2686 8.1402 2.1614 7.0389 7.9756
C13 3.8787 4.5135 4.7352 2.4474 4.3573 4.5763 1.4102 4.9825 6.1134 2.8043 4.7726 5.8545 5.8545 7.1216 2.4325 5.6809 7.0163 1.4073 6.1706 3.7178 2.1511 5.1319 6.5433 3.8822 4.7463 6.0964 1.0775 6.5458 8.1402 3.4110 6.2686 7.9756 2.1614 7.0389
C14 3.8787 4.5135 4.3573 4.7352 2.4474 4.9825 4.5763 1.4102 4.7726 6.1134 2.8043 5.8545 5.8545 5.6809 7.1216 2.4325 6.1706 7.0163 1.4073 5.1319 3.7178 2.1511 4.7463 6.5433 3.8822 6.5458 6.0964 1.0775 6.2686 8.1402 3.4110 7.0389 7.9756 2.1614
C15 3.8463 4.0120 2.4525 4.9851 4.5275 2.8137 5.9730 4.5168 1.4063 5.4153 5.7029 2.4325 7.1216 5.6809 6.6614 6.6614 1.4103 7.4277 6.6574 3.8885 6.0631 3.9315 2.1529 5.0298 6.0733 3.4109 7.9413 6.0218 1.0774 7.1991 7.5946 2.1637 8.4205 7.5875
C16 3.8463 4.0120 4.5275 2.4525 4.9851 4.5168 2.8137 5.9730 5.7029 1.4063 5.4153 5.6809 2.4325 7.1216 6.6614 6.6614 6.6574 1.4103 7.4277 3.9315 3.8885 6.0631 6.0733 2.1529 5.0298 6.0218 3.4109 7.9413 7.5946 1.0774 7.1991 7.5875 2.1637 8.4205
C17 3.8463 4.0120 4.9851 4.5275 2.4525 5.9730 4.5168 2.8137 5.4153 5.7029 1.4063 7.1216 5.6809 2.4325 6.6614 6.6614 7.4277 6.6574 1.4103 6.0631 3.9315 3.8885 5.0298 6.0733 2.1529 7.9413 6.0218 3.4109 7.1991 7.5946 1.0774 8.4205 7.5875 2.1637
C18 4.3769 4.7836 2.8376 5.2044 5.1454 2.4454 6.0163 4.9676 2.4394 5.5909 6.4635 1.4073 7.0163 6.1706 1.4103 6.6574 7.4277 7.3066 7.3066 3.4121 6.1235 4.1539 3.4129 5.3411 6.8896 2.1583 7.7637 6.3819 2.1621 7.1818 8.4249 1.0772 8.2217 8.2345
C19 4.3769 4.7836 5.1454 2.8376 5.2044 4.9676 2.4454 6.0163 6.4635 2.4394 5.5909 6.1706 1.4073 7.0163 7.4277 1.4103 6.6574 7.3066 7.3066 4.1539 3.4121 6.1235 6.8896 3.4129 5.3411 6.3819 2.1583 7.7637 8.4249 2.1621 7.1818 8.2345 1.0772 8.2217
C20 4.3769 4.7836 5.2044 5.1454 2.8376 6.0163 4.9676 2.4454 5.5909 6.4635 2.4394 7.0163 6.1706 1.4073 6.6574 7.4277 1.4103 7.3066 7.3066 6.1235 4.1539 3.4121 5.3411 6.8896 3.4129 7.7637 6.3819 2.1583 7.1818 8.4249 2.1621 8.2217 8.2345 1.0772
H21 2.8065 3.6925 2.1604 2.6268 3.7177 1.0749 2.9495 3.8181 3.4081 3.2073 4.9977 2.1511 3.7178 5.1319 3.8885 3.9315 6.0631 3.4121 4.1539 6.1235 3.2238 3.2238 4.3021 3.6197 5.3548 2.4674 4.3984 5.5648 4.9658 4.7153 7.0295 4.3013 5.0403 7.1202
H22 2.8065 3.6925 3.7177 2.1604 2.6268 3.8181 1.0749 2.9495 4.9977 3.4081 3.2073 5.1319 2.1511 3.7178 6.0631 3.8885 3.9315 6.1235 3.4121 4.1539 3.2238 3.2238 5.3548 4.3021 3.6197 5.5648 2.4674 4.3984 7.0295 4.9658 4.7153 7.1202 4.3013 5.0403
H23 2.8065 3.6925 2.6268 3.7177 2.1604 2.9495 3.8181 1.0749 3.2073 4.9977 3.4081 3.7178 5.1319 2.1511 3.9315 6.0631 3.8885 4.1539 6.1235 3.4121 3.2238 3.2238 3.6197 5.3548 4.3021 4.3984 5.5648 2.4674 4.7153 7.0295 4.9658 5.0403 7.1202 4.3013
H24 2.7119 2.4534 2.1582 4.1486 3.2041 3.4055 5.2711 3.6637 1.0779 4.6768 4.0274 3.8822 6.5433 4.7463 2.1529 6.0733 5.0298 3.4129 6.8896 5.3411 4.3021 5.3548 3.6197 4.2477 4.2477 4.9597 7.4147 5.3915 2.4744 6.6688 5.8282 4.3041 7.9481 6.2985
H25 2.7119 2.4534 3.2041 2.1582 4.1486 3.6637 3.4055 5.2711 4.0274 1.0779 4.6768 4.7463 3.8822 6.5433 5.0298 2.1529 6.0733 5.3411 3.4129 6.8896 3.6197 4.3021 5.3548 4.2477 4.2477 5.3915 4.9597 7.4147 5.8282 2.4744 6.6688 6.2985 4.3041 7.9482
H26 2.7119 2.4534 4.1486 3.2041 2.1582 5.2711 3.6637 3.4055 4.6768 4.0274 1.0779 6.5433 4.7463 3.8822 6.0733 5.0298 2.1529 6.8896 5.3411 3.4129 5.3548 3.6197 4.3021 4.2477 4.2477 7.4147 5.3915 4.9597 6.6688 5.8282 2.4744 7.9482 6.2985 4.3041
H27 4.7421 5.4465 3.4184 4.9769 5.5769 2.1560 5.4112 5.3240 3.8818 5.3212 6.9670 1.0775 6.0964 6.5458 3.4109 6.0218 7.9413 2.1583 6.3819 7.7637 2.4674 5.5648 4.3984 4.9597 5.3915 7.4147 6.6883 6.6883 4.3057 6.5670 8.9727 2.4902 7.1421 8.6922
H28 4.7421 5.4465 5.5769 3.4184 4.9769 5.3240 2.1560 5.4112 6.9670 3.8818 5.3212 6.5458 1.0775 6.0964 7.9413 3.4109 6.0218 7.7637 2.1583 6.3819 4.3984 2.4674 5.5648 7.4147 4.9597 5.3915 6.6883 6.6883 8.9727 4.3057 6.5670 8.6922 2.4902 7.1421
H29 4.7421 5.4465 4.9769 5.5769 3.4184 5.4112 5.3240 2.1560 5.3212 6.9670 3.8818 6.0964 6.5458 1.0775 6.0218 7.9413 3.4109 6.3819 7.7637 2.1583 5.5648 4.3984 2.4674 5.3915 7.4147 4.9597 6.6883 6.6883 6.5670 8.9727 4.3057 7.1421 8.6922 2.4902
H30 4.6946 4.7001 3.4245 5.9283 5.2622 3.8910 6.9629 5.2327 2.1557 6.3166 6.3202 3.4110 8.1402 6.2686 1.0774 7.5946 7.1991 2.1621 8.4249 7.1818 4.9658 7.0295 4.7153 2.4744 5.8282 6.6688 4.3057 8.9727 6.5670 8.0811 8.0811 2.4943 9.4239 8.0530
H31 4.6946 4.7001 5.2622 3.4245 5.9283 5.2327 3.8910 6.9629 6.3202 2.1557 6.3166 6.2686 3.4110 8.1402 7.1991 1.0774 7.5946 7.1818 2.1621 8.4249 4.7153 4.9658 7.0295 6.6688 2.4744 5.8282 6.5670 4.3057 8.9727 8.0811 8.0811 8.0530 2.4943 9.4239
H32 4.6946 4.7001 5.9283 5.2622 3.4245 6.9629 5.2327 3.8910 6.3166 6.3202 2.1557 8.1402 6.2686 3.4110 7.5946 7.1991 1.0774 8.4249 7.1818 2.1621 7.0295 4.7153 4.9658 5.8282 6.6688 2.4744 8.9727 6.5670 4.3057 8.0811 8.0811 9.4239 8.0530 2.4943
H33 5.4540 5.8384 3.9148 6.2517 6.1846 3.4219 7.0275 5.9103 3.4166 6.5808 7.5031 2.1614 7.9756 7.0389 2.1637 7.5875 8.4205 1.0772 8.2345 8.2217 4.3013 7.1202 5.0403 4.3041 6.2985 7.9482 2.4902 8.6922 7.1421 2.4943 8.0530 9.4239 9.1070 9.1070
H34 5.4540 5.8384 6.1846 3.9148 6.2517 5.9103 3.4219 7.0275 7.5031 3.4166 6.5808 7.0389 2.1614 7.9756 8.4205 2.1637 7.5875 8.2217 1.0772 8.2345 5.0403 4.3013 7.1202 7.9481 4.3041 6.2985 7.1421 2.4902 8.6922 9.4239 2.4943 8.0530 9.1070 9.1070
H35 5.4540 5.8384 6.2517 6.1846 3.9148 7.0275 5.9103 3.4219 6.5808 7.5031 3.4166 7.9756 7.0389 2.1614 7.5875 8.4205 2.1637 8.2345 8.2217 1.0772 7.1202 5.0403 4.3013 6.2985 7.9482 4.3041 8.6922 7.1421 2.4902 8.0530 9.4239 2.4943 9.1070 9.1070
Maximum atom distance is 9.4239Å between atoms H31 and H35.
picture of Triphenylmethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C6 122.663 C1 C3 C9 118.549
C1 C4 C7 122.663 C1 C4 C10 118.549
C1 C5 C8 122.663 C1 C5 C11 118.549
C3 C1 C4 112.686 C3 C1 C5 112.686
C3 C6 C12 120.465 C3 C9 C15 120.917
C4 C1 C5 112.686 C4 C7 C13 120.465
C4 C10 C16 120.917 C5 C8 C14 120.465
C5 C11 C17 120.917 C6 C3 C9 118.778
C6 C12 C18 120.436 C7 C4 C10 118.778
C7 C13 C19 120.436 C8 C5 C11 118.778
C8 C14 C20 120.436 C9 C15 C18 120.016
C10 C16 C19 120.016 C11 C17 C20 120.016
C12 C18 C15 119.387 C13 C19 C16 119.387
C14 C20 C17 119.387
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 C3 106.025 H2 C1 C4 106.025
H2 C1 C5 106.025 C3 C6 H21 120.253
C3 C9 H24 119.525 C4 C7 H22 120.253
C4 C10 H25 119.525 C5 C8 H23 120.253
C5 C11 H26 119.525 C6 C12 H27 119.548
C7 C13 H28 119.548 C8 C14 H29 119.548
C9 C15 H30 119.855 C10 C16 H31 119.855
C11 C17 H32 119.855 C12 C5 H21 26.106
C12 C18 H33 120.326 C13 C7 H22 119.283
C13 C19 H34 120.326 C14 C8 H23 119.283
C14 C20 H35 120.326 C15 C9 H24 119.558
C15 C18 H33 120.286 C16 C10 H25 119.558
C16 C19 H34 120.286 C17 C11 H26 119.558
C17 C20 H35 120.286 C18 C12 H27 120.016
C18 C15 H30 120.129 C19 C13 H28 120.016
C19 C16 H31 120.129 C20 C14 H29 120.016
C20 C17 H32 120.129

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