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Geometry for C5H10O (2-methylbutyraldehyde) 1A C1

1910171554
InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1 INChIKey=BYGQBDHUGHBGMD-RXMQYKEDSA-N

MP2/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3807 -0.6887 0.2266   1.3746 -0.7006 0.2277
C2 -0.0819 0.0736 0.4145   0.0853 0.0784 0.4129
C3 1.0439 -0.6964 -0.2937   -1.0532 -0.6890 -0.2776
C4 2.4382 -0.1411 -0.0040   -2.4395 -0.1145 0.0130
C5 -0.2168 1.5195 -0.0458   0.2329 1.5163 -0.0683
O6 -2.3865 -0.2390 -0.2729   2.3820 -0.2688 -0.2843
H7 -1.3361 -1.7548 0.5502   1.3204 -1.7615 0.5662
H8 0.1304 0.0459 1.4957   -0.1205 0.0680 1.4957
H9 1.0054 -1.7495 0.0120   -1.0242 -1.7381 0.0424
H10 0.8545 -0.6762 -1.3741   -0.8705 -0.6858 -1.3593
H11 3.2047 -0.7592 -0.4787   -3.2157 -0.7307 -0.4483
H12 2.5543 0.8770 -0.3817   -2.5470 0.8994 -0.3781
H13 2.6357 -0.1280 1.0720   -2.6301 -0.0844 1.0899
H14 -0.3895 1.5617 -1.1244   0.3993 1.5417 -1.1483
H15 -1.0667 2.0015 0.4413   1.0911 1.9956 0.4069
H16 0.6831 2.0931 0.1856   -0.6592 2.1028 0.1607
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 O6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.5177 2.4798 3.8648 2.5110 1.2097 1.1150 2.1057 2.6201 2.7493 4.6399 4.2785 4.1425 2.8057 2.7170 3.4641
C2 1.5177 1.5369 2.5636 1.5234 2.4252 2.2214 1.1022 2.1606 2.1537 3.5062 2.8686 2.8033 2.1627 2.1649 2.1717
C3 2.4798 1.5369 1.5285 2.5615 3.4608 2.7380 2.1419 1.0973 1.0970 2.1696 2.1828 2.1730 2.8007 3.5033 2.8534
C4 3.8648 2.5636 1.5285 3.1318 4.8332 4.1420 2.7586 2.1541 2.1614 1.0932 1.0921 1.0940 3.4858 4.1319 2.8475
C5 2.5110 1.5234 2.5615 3.1318 2.8021 3.5113 2.1607 3.4905 2.7809 4.1336 2.8643 3.4786 1.0931 1.0918 1.0919
O6 1.2097 2.4252 3.4608 4.8332 2.8021 2.0195 3.0894 3.7240 3.4508 5.6191 5.0664 5.2003 2.8205 2.6967 3.8822
H7 1.1150 2.2214 2.7380 4.1420 3.5113 2.0195 2.5075 2.4025 3.1088 4.7611 4.7884 4.3236 3.8340 3.7675 4.3608
H8 2.1057 1.1022 2.1419 2.7586 2.1607 3.0894 2.5075 2.4882 3.0466 3.7414 3.1766 2.5468 3.0713 2.5237 2.4926
H9 2.6201 2.1606 1.0973 2.1541 3.4905 3.7240 2.4025 2.4882 1.7595 2.4613 3.0745 2.5320 3.7685 4.3067 3.8601
H10 2.7493 2.1537 1.0970 2.1614 2.7809 3.4508 3.1088 3.0466 1.7595 2.5164 2.5072 3.0751 2.5726 3.7626 3.1830
H11 4.6399 3.5062 2.1696 1.0932 4.1336 5.6191 4.7611 3.7414 2.4613 2.5164 1.7634 1.7683 4.3269 5.1684 3.8647
H12 4.2785 2.8686 2.1828 1.0921 2.8643 5.0664 4.7884 3.1766 3.0745 2.5072 1.7634 1.7691 3.1123 3.8798 2.3027
H13 4.1425 2.8033 2.1730 1.0940 3.4786 5.2003 4.3236 2.5468 2.5320 3.0751 1.7683 1.7691 4.1026 4.3174 3.0874
H14 2.8057 2.1627 2.8007 3.4858 1.0931 2.8205 3.8340 3.0713 3.7685 2.5726 4.3269 3.1123 4.1026 1.7616 1.7745
H15 2.7170 2.1649 3.5033 4.1319 1.0918 2.6967 3.7675 2.5237 4.3067 3.7626 5.1684 3.8798 4.3174 1.7616 1.7707
H16 3.4641 2.1717 2.8534 2.8475 1.0919 3.8822 4.3608 2.4926 3.8601 3.1830 3.8647 2.3027 3.0874 1.7745 1.7707
Maximum atom distance is 5.6191Å between atoms O6 and H11.
picture of 2-methylbutyraldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 108.551 C1 C2 C5 111.322
C2 C1 O6 125.162 C2 C3 C4 113.504
C3 C2 C5 113.650
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 105.881 C2 C1 H7 114.212
C2 C3 H9 109.077 C2 C3 H10 108.552
C2 C5 H14 110.414 C2 C5 H15 110.674
C2 C5 H16 111.199 C3 C2 H8 107.358
C3 C4 H11 110.603 C3 C4 H12 111.719
C3 C4 H13 110.825 C4 C3 H9 109.138
C4 C3 H10 109.722 C5 C2 H8 109.715
O6 C1 H7 120.568 H9 C3 H10 106.617
H11 C4 H12 107.601 H11 C4 H13 107.895
H12 C4 H13 108.047 H14 C5 H15 107.470
H14 C5 H16 108.606 H15 C5 H16 108.364

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