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	hartrees
Energy at 0K	-257.631645
Energy at 298.15K	-257.637253
HF Energy	-256.792179
Nuclear repulsion energy	165.957777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3697	3697	105.09
2	A'	3321	3321	1.52
3	A'	1531	1531	19.43
4	A'	1491	1491	13.37
5	A'	1328	1328	15.03
6	A'	1282	1282	0.24
7	A'	1151	1151	12.17
8	A'	1083	1083	25.10
9	A'	1061	1061	21.54
10	A'	1012	1012	0.43
11	A'	968	968	2.39
12	A"	866	866	18.19
13	A"	731	731	7.51
14	A"	687	687	6.85
15	A"	556	556	84.05

Atom	x (Å)	y (Å)
C1	1.072	0.232
N2	0.000	1.061
N3	-1.118	0.303
N4	-0.730	-0.925
N5	0.637	-1.014
H6	2.108	0.558
H7	-0.060	2.070

	C1	N2	N3	N4	N5	H6	H7
C1		1.3550	2.1911	2.1418	1.3200	1.0861	2.1585
N2	1.3550		1.3512	2.1164	2.1707	2.1673	1.0106
N3	2.1911	1.3512		1.2877	2.1940	3.2362	2.0598
N4	2.1418	2.1164	1.2877		1.3699	3.2024	3.0693
N5	1.3200	2.1707	2.1940	1.3699		2.1529	3.1618
H6	1.0861	2.1673	3.2362	3.2024	2.1529		2.6435
H7	2.1585	1.0106	2.0598	3.0693	3.1618	2.6435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.125	C1	N2	H7	131.140
C1	N5	N4	105.527	N2	C1	N5	108.478
N2	C1	H6	124.836	N2	N3	N4	106.621
N3	N2	H7	120.734	N3	N4	N5	111.248
N5	C1	H6	126.686

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

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