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	hartrees
Energy at 0K	-257.636737
Energy at 298.15K	-257.642404
HF Energy	-256.812064
Nuclear repulsion energy	167.159096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3732	3565	115.90
2	A'	3325	3176	1.05
3	A'	1563	1493	18.32
4	A'	1522	1454	16.72
5	A'	1356	1295	17.65
6	A'	1314	1255	0.25
7	A'	1176	1123	9.92
8	A'	1129	1079	25.97
9	A'	1100	1050	23.64
10	A'	1033	987	1.58
11	A'	997	953	1.82
12	A"	888	848	18.06
13	A"	746	712	11.74
14	A"	702	670	11.83
15	A"	585	559	83.88

Atom	x (Å)	y (Å)
C1	1.066	0.228
N2	0.000	1.054
N3	-1.111	0.303
N4	-0.725	-0.917
N5	0.633	-1.008
H6	2.095	0.551
H7	-0.061	2.059

	C1	N2	N3	N4	N5	H6	H7
C1		1.3484	2.1784	2.1261	1.3100	1.0790	2.1497
N2	1.3484		1.3419	2.1011	2.1574	2.1549	1.0064
N3	2.1784	1.3419		1.2797	2.1818	3.2163	2.0466
N4	2.1261	2.1011	1.2797		1.3610	3.1799	3.0497
N5	1.3100	2.1574	2.1818	1.3610		2.1377	3.1446
H6	1.0790	2.1549	3.2163	3.1799	2.1377		2.6313
H7	2.1497	1.0064	2.0466	3.0497	3.1446	2.6313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.136	C1	N2	H7	131.268
C1	N5	N4	105.480	N2	C1	N5	108.488
N2	C1	H6	124.810	N2	N3	N4	106.513
N3	N2	H7	120.596	N3	N4	N5	111.382
N5	C1	H6	126.702

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

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

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