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	hartrees
Energy at 0K	-45.152378
Energy at 298.15K	-45.158228
HF Energy	-45.152378
Nuclear repulsion energy	86.403051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3944	3599	138.66
2	A'	3479	3174	2.62
3	A'	1661	1515	43.58
4	A'	1536	1402	7.47
5	A'	1452	1325	21.66
6	A'	1368	1249	2.10
7	A'	1233	1125	17.37
8	A'	1153	1052	22.27
9	A'	1122	1024	33.68
10	A'	1097	1001	8.28
11	A'	1041	949	1.78
12	A"	988	901	11.92
13	A"	799	729	171.06
14	A"	774	706	0.54
15	A"	714	652	19.00

Atom	x (Å)	y (Å)
C1	1.077	0.243
N2	0.000	1.061
N3	-1.129	0.294
N4	-0.733	-0.934
N5	0.648	-1.002
H6	2.095	0.556
H7	-0.065	2.049

	C1	N2	N3	N4	N5	H6	H7
C1		1.3525	2.2064	2.1596	1.3172	1.0649	2.1369
N2	1.3525		1.3648	2.1251	2.1625	2.1551	0.9906
N3	2.2064	1.3648		1.2891	2.1990	3.2344	2.0531
N4	2.1596	2.1251	1.2891		1.3833	3.1970	3.0570
N5	1.3172	2.1625	2.1990	1.3833		2.1265	3.1337
H6	1.0649	2.1551	3.2344	3.1970	2.1265		2.6257
H7	2.1369	0.9906	2.0531	3.0570	3.1337	2.6257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.584	C1	N2	H7	130.941
C1	N5	N4	106.173	N2	C1	N5	108.186
N2	C1	H6	125.709	N2	N3	N4	106.368
N3	N2	H7	120.476	N3	N4	N5	110.688
N5	C1	H6	126.105

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

using model chemistry: HF/CEP-121G

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	-0.097
2	N	-0.404
3	N	0.024
4	N	-0.081
5	N	-0.077
6	H	0.234
7	H	0.401

	x	y	z	Total
	2.963	5.481	0.000	6.231
CHELPG
AIM
ESP

	x	y	z
x	5.511	0.106	0.000
y	0.106	5.549	0.000
z	0.000	0.000	2.680

<r²>	58.615
(<r²>)^1/2	7.656

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

using model chemistry: HF/CEP-121G

States and conformations

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