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	hartrees
Energy at 0K	-256.780130
Energy at 298.15K	-256.785947
HF Energy	-256.780130
Nuclear repulsion energy	169.757862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3900	3542	151.79
2	A'	3462	3144	0.84
3	A'	1714	1556	20.99
4	A'	1623	1474	10.58
5	A'	1547	1404	36.11
6	A'	1417	1286	1.16
7	A'	1252	1137	19.71
8	A'	1192	1083	33.20
9	A'	1175	1067	27.20
10	A'	1113	1011	2.09
11	A'	1088	988	2.22
12	A"	1005	912	10.67
13	A"	817	742	8.26
14	A"	749	680	3.57
15	A"	610	554	110.11

Atom	x (Å)	y (Å)
C1	1.053	0.223
N2	0.000	1.040
N3	-1.094	0.293
N4	-0.718	-0.900
N5	0.620	-0.993
H6	2.080	0.541
H7	-0.056	2.036

	C1	N2	N3	N4	N5	H6	H7
C1		1.3327	2.1481	2.0968	1.2904	1.0753	2.1251
N2	1.3327		1.3245	2.0683	2.1251	2.1392	0.9975
N3	2.1481	1.3245		1.2510	2.1430	3.1838	2.0282
N4	2.0968	2.0683	1.2510		1.3413	3.1472	3.0093
N5	1.2904	2.1251	2.1430	1.3413		2.1174	3.1031
H6	1.0753	2.1392	3.1838	3.1472	2.1174		2.6074
H7	2.1251	0.9975	2.0282	3.0093	3.1031	2.6074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.883	C1	N2	H7	131.025
C1	N5	N4	105.622	N2	C1	N5	108.210
N2	C1	H6	125.000	N2	N3	N4	106.815
N3	N2	H7	121.091	N3	N4	N5	111.469
N5	C1	H6	126.790

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

using model chemistry: HF/cc-pVDZ

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	0.304
2	N	-0.141
3	N	-0.056
4	N	-0.076
5	N	-0.261
6	H	0.083
7	H	0.148

	x	y	z	Total
	2.615	4.878	0.000	5.534
CHELPG
AIM
ESP

	x	y	z
x	5.114	0.120	0.000
y	0.120	5.120	0.000
z	0.000	0.000	2.327

<r²>	68.503
(<r²>)^1/2	8.277

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

using model chemistry: HF/cc-pVDZ

States and conformations

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