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Geometry for CH2N4 (1H-Tetrazole) 1A' CS

1910171554
InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5) INChIKey=KJUGUADJHNHALS-UHFFFAOYSA-N

wB97X-D/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0663 0.2322 0.0000   0.8157 0.7250 0.0000
N2 0.0000 1.0534 0.0000   -0.5162 0.9183 0.0000
N3 -1.1112 0.2981 0.0000   -1.1147 -0.2847 0.0000
N4 -0.7244 -0.9203 0.0000   -0.1805 -1.1571 0.0000
N5 0.6310 -1.0037 0.0000   1.0419 -0.5657 0.0000
H6 2.0962 0.5541 0.0000   1.5557 1.5102 0.0000
H7 -0.0620 2.0598 0.0000   -1.0634 1.7651 0.0000
Atom - Atom Distances (Å)
  C1 N2 N3 N4 N5 H6 H7
C1 1.3459 2.1785 2.1295 1.3103 1.0790 2.1478
N2 1.3459 1.3436 2.1024 2.1517 2.1548 1.0083
N3 2.1785 1.3436 1.2783 2.1749 3.2176 2.0504
N4 2.1295 2.1024 1.2783 1.3579 3.1826 3.0527
N5 1.3103 2.1517 2.1749 1.3579 2.1385 3.1409
H6 1.0790 2.1548 3.2176 3.1826 2.1385 2.6315
H7 2.1478 1.0083 2.0504 3.0527 3.1409 2.6315
Maximum atom distance is 3.2176Å between atoms N3 and H6.
picture of 1H-Tetrazole
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 N3 108.195 C1 N5 N4 105.881
N2 C1 N5 108.196 N2 N3 N4 106.588
N3 N4 N5 111.139
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H7 131.128 N2 C1 H6 125.044
N3 N2 H7 120.676 N5 C1 H6 126.760

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