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	hartrees
Energy at 0K	-45.301506
Energy at 298.15K	-45.307296
HF Energy	-45.301506
Nuclear repulsion energy	87.666645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3931	3530	143.72
2	A'	3496	3139	0.70
3	A'	1710	1535	22.33
4	A'	1608	1444	11.68
5	A'	1546	1389	43.04
6	A'	1421	1276	3.19
7	A'	1252	1124	16.93
8	A'	1210	1087	30.54
9	A'	1183	1062	30.22
10	A'	1097	985	2.43
11	A'	1075	965	2.29
12	A"	998	896	14.71
13	A"	795	714	10.15
14	A"	739	664	10.62
15	A"	625	562	123.35

Atom	x (Å)	y (Å)
C1	1.060	0.228
N2	0.000	1.051
N3	-1.104	0.296
N4	-0.721	-0.913
N5	0.628	-1.001
H6	2.088	0.546
H7	-0.064	2.050

	C1	N2	N3	N4	N5	H6	H7
C1		1.3422	2.1645	2.1150	1.3022	1.0759	2.1409
N2	1.3422		1.3376	2.0925	2.1458	2.1479	1.0006
N3	2.1645	1.3376		1.2675	2.1628	3.2010	2.0393
N4	2.1150	2.0925	1.2675		1.3518	3.1651	3.0349
N5	1.3022	2.1458	2.1628	1.3518		2.1268	3.1280
H6	1.0759	2.1479	3.2010	3.1651	2.1268		2.6251
H7	2.1409	1.0006	2.0393	3.0349	3.1280	2.6251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.745	C1	N2	H7	131.520
C1	N5	N4	105.660	N2	C1	N5	108.471
N2	C1	H6	124.946	N2	N3	N4	106.845
N3	N2	H7	120.735	N3	N4	N5	111.279
N5	C1	H6	126.583

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.491
2	N	-0.099
3	N	-0.057
4	N	-0.086
5	N	0.051
6	H	0.254
7	H	0.428

	x	y	z	Total
	2.703	5.101	0.000	5.773
CHELPG
AIM
ESP

	x	y	z
x	5.377	0.052	0.000
y	0.052	5.451	0.000
z	0.000	0.000	2.550

<r²>	56.799
(<r²>)^1/2	7.537

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

using model chemistry: HF/CEP-31G*

States and conformations

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