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	hartrees
Energy at 0K	-257.663008
Energy at 298.15K	-257.668529
HF Energy	-256.829619
Nuclear repulsion energy	166.999636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3715	3545	113.06
2	A'	3335	3183	1.34
3	A'	1550	1479	20.94
4	A'	1498	1429	14.36
5	A'	1336	1275	19.33
6	A'	1301	1242	0.61
7	A'	1170	1117	16.29
8	A'	1087	1038	24.45
9	A'	1061	1013	22.36
10	A'	1019	972	0.37
11	A'	972	928	3.04
12	A"	839	801	27.78
13	A"	719	686	9.13
14	A"	680	649	11.40
15	A"	460	439	76.94

Atom	x (Å)	y (Å)
C1	1.064	0.233
N2	0.000	1.054
N3	-1.118	0.299
N4	-0.725	-0.922
N5	0.641	-1.005
H6	2.089	0.559
H7	-0.062	2.058

	C1	N2	N3	N4	N5	H6	H7
C1		1.3439	2.1828	2.1301	1.3082	1.0749	2.1438
N2	1.3439		1.3489	2.1053	2.1565	2.1466	1.0055
N3	2.1828	1.3489		1.2828	2.1896	3.2168	2.0516
N4	2.1301	2.1053	1.2828		1.3691	3.1797	3.0531
N5	1.3082	2.1565	2.1896	1.3691		2.1303	3.1422
H6	1.0749	2.1466	3.2168	3.1797	2.1303		2.6212
H7	2.1438	1.0055	2.0516	3.0531	3.1422	2.6212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.310	C1	N2	H7	131.157
C1	N5	N4	105.400	N2	C1	N5	108.797
N2	C1	H6	124.744	N2	N3	N4	106.228
N3	N2	H7	120.533	N3	N4	N5	111.265
N5	C1	H6	126.459

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

using model chemistry: CCSD/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: CCSD/TZVP

States and conformations

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