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	hartrees
Energy at 0K	-257.595094
Energy at 298.15K	-257.600646
HF Energy	-256.746055
Nuclear repulsion energy	165.636626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3653	3546
2	A'	3309	3212
3	A'	1518	1473
4	A'	1483	1440
5	A'	1284	1246
6	A'	1275	1238
7	A'	1162	1127
8	A'	1070	1039
9	A'	1055	1024
10	A'	1008	978
11	A'	961	933
12	A"	836	811
13	A"	725	704
14	A"	683	663
15	A"	551	535

Atom	x (Å)	y (Å)
C1	1.072	0.239
N2	0.000	1.060
N3	-1.129	0.305
N4	-0.727	-0.934
N5	0.647	-1.012
H6	2.102	0.569
H7	-0.064	2.072

	C1	N2	N3	N4	N5	H6	H7
C1		1.3500	2.2019	2.1470	1.3210	1.0822	2.1565
N2	1.3500		1.3585	2.1219	2.1706	2.1585	1.0141
N3	2.2019	1.3585		1.3021	2.2111	3.2422	2.0632
N4	2.1470	2.1219	1.3021		1.3762	3.2036	3.0777
N5	1.3210	2.1706	2.2111	1.3762		2.1491	3.1649
H6	1.0822	2.1585	3.2422	3.2036	2.1491		2.6364
H7	2.1565	1.0141	2.0632	3.0777	3.1649	2.6364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.773	C1	N2	H7	131.095
C1	N5	N4	105.488	N2	C1	N5	108.704
N2	C1	H6	124.755	N2	N3	N4	105.773
N3	N2	H7	120.132	N3	N4	N5	111.262
N5	C1	H6	126.541

All results from a given calculation for CH₂N₄ (1H-Tetrazole)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CH2N4 (1H-Tetrazole)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂N₄ (1H-Tetrazole)