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	hartrees
Energy at 0K	-257.551163
Energy at 298.15K	-257.556817
HF Energy	-256.755489
Nuclear repulsion energy	166.728874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3775	3539	115.76
2	A'	3378	3167	0.73
3	A'	1575	1476	18.62
4	A'	1539	1443	20.29
5	A'	1352	1267	16.64
6	A'	1323	1241	0.58
7	A'	1186	1112	11.73
8	A'	1130	1059	25.39
9	A'	1102	1034	21.10
10	A'	1032	968	1.53
11	A'	998	936	1.65
12	A"	875	820	18.67
13	A"	746	699	12.09
14	A"	701	658	13.03
15	A"	587	551	90.72

Atom	x (Å)	y (Å)
C1	1.068	0.232
N2	0.000	1.056
N3	-1.116	0.303
N4	-0.726	-0.923
N5	0.636	-1.008
H6	2.093	0.556
H7	-0.059	2.060

	C1	N2	N3	N4	N5	H6	H7
C1		1.3492	2.1849	2.1338	1.3132	1.0749	2.1474
N2	1.3492		1.3464	2.1082	2.1604	2.1520	1.0050
N3	2.1849	1.3464		1.2858	2.1880	3.2187	2.0501
N4	2.1338	2.1082	1.2858		1.3652	3.1835	3.0561
N5	1.3132	2.1604	2.1880	1.3652		2.1374	3.1457
H6	1.0749	2.1520	3.2187	3.1835	2.1374		2.6256
H7	2.1474	1.0050	2.0501	3.0561	3.1457	2.6256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.295	C1	N2	H7	131.044
C1	N5	N4	105.613	N2	C1	N5	108.462
N2	C1	H6	124.800	N2	N3	N4	106.414
N3	N2	H7	120.661	N3	N4	N5	111.215
N5	C1	H6	126.738

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

using model chemistry: CCD/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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All results from a given calculation for CH2N4 (1H-Tetrazole)

using model chemistry: CCD/6-31G**

States and conformations

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