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Geometry for CH7N3 (triaminomethane) 1A C3

1910171554
InChI=1S/CH7N3/c2-1(3)4/h1H,2-4H2 INChIKey=

mPW1PW91/6-31G*


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3625   -0.0000 0.0000 0.3625
H2 0.0000 0.0000 1.4585   -0.0000 0.0000 1.4585
N3 0.0000 1.3931 -0.0545   -1.3359 0.3951 -0.0545
N4 1.2065 -0.6966 -0.0545   1.0101 0.9594 -0.0545
N5 -1.2065 -0.6966 -0.0545   0.3258 -1.3545 -0.0545
H6 0.8733 1.8228 0.2423   -1.5003 1.3544 0.2423
H7 1.1419 -1.6677 0.2423   1.9231 0.6221 0.2423
H8 -2.0152 -0.1550 0.2423   -0.4228 -1.9765 0.2423
H9 -0.0075 1.4393 -1.0723   -1.3823 0.4010 -1.0723
H10 1.2502 -0.7132 -1.0723   1.0384 0.9966 -1.0723
H11 -1.2427 -0.7261 -1.0723   0.3439 -1.3976 -1.0723
Atom - Atom Distances (Å)
  C1 H2 N3 N4 N5 H6 H7 H8 H9 H10 H11
C1 1.0959 1.4542 1.4542 1.4542 2.0248 2.0248 2.0248 2.0323 2.0323 2.0323
H2 1.0959 2.0566 2.0566 2.0566 2.3589 2.3589 2.3589 2.9114 2.9114 2.9114
N3 1.4542 2.0566 2.4130 2.4130 1.0176 3.2804 2.5585 1.0189 2.6524 2.6592
N4 1.4542 2.0566 2.4130 2.4130 2.5585 1.0176 3.2804 2.6592 1.0189 2.6524
N5 1.4542 2.0566 2.4130 2.4130 3.2804 2.5585 1.0176 2.6524 2.6592 1.0189
H6 2.0248 2.3589 1.0176 2.5585 3.2804 3.5008 3.5008 1.6282 2.8812 3.5641
H7 2.0248 2.3589 3.2804 1.0176 2.5585 3.5008 3.5008 3.5641 1.6282 2.8812
H8 2.0248 2.3589 2.5585 3.2804 1.0176 3.5008 3.5008 2.8812 3.5641 1.6282
H9 2.0323 2.9114 1.0189 2.6592 2.6524 1.6282 3.5641 2.8812 2.4929 2.4929
H10 2.0323 2.9114 2.6524 1.0189 2.6592 2.8812 1.6282 3.5641 2.4929 2.4929
H11 2.0323 2.9114 2.6592 2.6524 1.0189 3.5641 2.8812 1.6282 2.4929 2.4929
Maximum atom distance is 3.5641Å between atoms H7 and H9.
picture of triaminomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C1 N4 112.127 N3 C1 N5 112.127
N4 C1 N5 112.127
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 108.714 C1 N3 H9 109.257
C1 N4 H7 108.714 C1 N4 H10 109.257
C1 N5 H8 108.714 C1 N5 H11 109.257
H2 C1 N3 106.664 H2 C1 N4 106.664
H2 C1 N5 106.664 H6 N3 H9 106.174
H7 N4 H10 106.174 H8 N5 H11 106.174

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