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	hartrees
Energy at 0K	-255.432120
Energy at 298.15K	-255.437585
HF Energy	-255.432120
Nuclear repulsion energy	162.537199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3448	96.48
2	A'	3248	3195	6.09
3	A'	1391	1368	35.44
4	A'	1339	1317	4.42
5	A'	1190	1170	7.88
6	A'	1129	1111	13.45
7	A'	1061	1043	2.11
8	A'	996	980	6.63
9	A'	966	950	12.26
10	A'	848	834	13.67
11	A'	789	776	8.85
12	A"	877	863	18.40
13	A"	689	677	21.33
14	A"	679	668	80.27
15	A"	648	637	53.12

Atom	x (Å)	y (Å)
C1	1.075	0.260
N2	0.000	1.079
N3	-1.165	0.292
N4	-0.735	-0.966
N5	0.689	-1.013
H6	2.105	0.597
H7	-0.071	2.099

	C1	N2	N3	N4	N5	H6	H7
C1		1.3518	2.2404	2.1863	1.3294	1.0842	2.1675
N2	1.3518		1.4066	2.1740	2.2024	2.1595	1.0224
N3	2.2404	1.4066		1.3295	2.2670	3.2846	2.1130
N4	2.1863	2.1740	1.3295		1.4251	3.2425	3.1369
N5	1.3294	2.2024	2.2670	1.4251		2.1441	3.2034
H6	1.0842	2.1595	3.2846	3.2425	2.1441		2.6442
H7	2.1675	1.0224	2.1130	3.1369	3.2034	2.6442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.611	C1	N2	H7	131.322
C1	N5	N4	105.021	N2	C1	N5	110.457
N2	C1	H6	124.514	N2	N3	N4	105.191
N3	N2	H7	120.067	N3	N4	N5	110.720
N5	C1	H6	125.029

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

using model chemistry: LSDA/3-21G

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	0.263
2	N	-0.505
3	N	-0.036
4	N	-0.084
5	N	-0.304
6	H	0.287
7	H	0.378

	x	y	z	Total
	2.432	4.934	0.000	5.501
CHELPG
AIM
ESP

	x	y	z
x	5.250	0.198	0.000
y	0.198	5.186	0.000
z	0.000	0.000	1.713

<r²>	73.036
(<r²>)^1/2	8.546

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

using model chemistry: LSDA/3-21G

States and conformations

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