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	hartrees
Energy at 0K	-257.665568
Energy at 298.15K	-257.671076
HF Energy	-256.829317
Nuclear repulsion energy	166.856023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3712	3546	110.16
2	A'	3332	3184	1.26
3	A'	1544	1475	21.07
4	A'	1490	1424	13.62
5	A'	1333	1274	19.79
6	A'	1295	1237	0.81
7	A'	1166	1114	16.95
8	A'	1077	1029	24.77
9	A'	1050	1003	21.43
10	A'	1015	970	0.22
11	A'	964	921	3.78
12	A"	838	801	27.32
13	A"	717	685	8.89
14	A"	678	647	11.12
15	A"	453	433	77.93

Atom	x (Å)	y (Å)
C1	1.065	0.234
N2	0.000	1.055
N3	-1.119	0.298
N4	-0.726	-0.923
N5	0.643	-1.005
H6	2.089	0.560
H7	-0.062	2.059

	C1	N2	N3	N4	N5	H6	H7
C1		1.3446	2.1849	2.1316	1.3088	1.0751	2.1449
N2	1.3446		1.3516	2.1072	2.1585	2.1471	1.0057
N3	2.1849	1.3516		1.2826	2.1918	3.2192	2.0543
N4	2.1316	2.1072	1.2826		1.3715	3.1816	3.0551
N5	1.3088	2.1585	2.1918	1.3715		2.1307	3.1444
H6	1.0751	2.1471	3.2192	3.1816	2.1307		2.6221
H7	2.1449	1.0057	2.0543	3.0551	3.1444	2.6221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.259	C1	N2	H7	131.190
C1	N5	N4	105.346	N2	C1	N5	108.871
N2	C1	H6	124.701	N2	N3	N4	106.220
N3	N2	H7	120.551	N3	N4	N5	111.304
N5	C1	H6	126.428

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

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

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