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	hartrees
Energy at 0K	-256.782018
Energy at 298.15K	-256.787838
HF Energy	-256.782018
Nuclear repulsion energy	170.069220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3925	3554	138.40
2	A'	3444	3119	0.24
3	A'	1711	1549	25.07
4	A'	1619	1466	9.91
5	A'	1539	1394	33.46
6	A'	1421	1286	1.11
7	A'	1256	1137	20.88
8	A'	1194	1081	33.44
9	A'	1171	1061	22.44
10	A'	1111	1006	2.14
11	A'	1088	986	1.81
12	A"	1018	921	7.37
13	A"	818	740	7.57
14	A"	750	679	4.25
15	A"	619	561	109.38

Atom	x (Å)	y (Å)
C1	1.050	0.225
N2	0.000	1.038
N3	-1.093	0.291
N4	-0.716	-0.900
N5	0.622	-0.989
H6	2.069	0.544
H7	-0.059	2.027

	C1	N2	N3	N4	N5	H6	H7
C1		1.3281	2.1443	2.0939	1.2871	1.0682	2.1165
N2	1.3281		1.3243	2.0660	2.1206	2.1277	0.9909
N3	2.1443	1.3243		1.2488	2.1405	3.1729	2.0209
N4	2.0939	2.0660	1.2488		1.3417	3.1375	2.9998
N5	1.2871	2.1206	2.1405	1.3417		2.1080	3.0925
H6	1.0682	2.1277	3.1729	3.1375	2.1080		2.5949
H7	2.1165	0.9909	2.0209	2.9998	3.0925	2.5949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.889	C1	N2	H7	131.198
C1	N5	N4	105.582	N2	C1	N5	108.355
N2	C1	H6	124.877	N2	N3	N4	106.782
N3	N2	H7	120.913	N3	N4	N5	111.392
N5	C1	H6	126.768

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

using model chemistry: HF/6-31G(2df,p)

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	0.103
2	N	-0.294
3	N	-0.045
4	N	-0.070
5	N	-0.246
6	H	0.208
7	H	0.343

	x	y	z	Total
	2.588	4.819	0.000	5.470
CHELPG
AIM
ESP

	x	y	z
x	5.287	0.102	0.000
y	0.102	5.305	0.000
z	0.000	0.000	2.665

<r²>	68.162
(<r²>)^1/2	8.256

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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