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	hartrees
Energy at 0K	-46.103331
Energy at 298.15K	-46.108895
HF Energy	-45.298361
Nuclear repulsion energy	85.552129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3644	3472	100.42
2	A'	3317	3161	1.60
3	A'	1472	1403	16.35
4	A'	1465	1396	18.70
5	A'	1251	1191	1.54
6	A'	1173	1118	2.38
7	A'	1131	1077	16.63
8	A'	1097	1045	9.55
9	A'	1073	1022	33.33
10	A'	994	947	2.65
11	A'	946	901	2.95
12	A"	803	765	40.42
13	A"	716	682	22.51
14	A"	685	653	12.17
15	A"	595	567	65.64

Atom	x (Å)	y (Å)
C1	1.078	0.237
N2	0.000	1.067
N3	-1.128	0.308
N4	-0.731	-0.937
N5	0.643	-1.019
H6	2.109	0.563
H7	-0.064	2.081

	C1	N2	N3	N4	N5	H6	H7
C1		1.3609	2.2078	2.1570	1.3295	1.0808	2.1690
N2	1.3609		1.3599	2.1337	2.1835	2.1684	1.0154
N3	2.2078	1.3599		1.3073	2.2138	3.2472	2.0673
N4	2.1570	2.1337	1.3073		1.3768	3.2117	3.0907
N5	1.3295	2.1835	2.2138	1.3768		2.1566	3.1797
H6	1.0808	2.1684	3.2472	3.2117	2.1566		2.6508
H7	2.1690	1.0154	2.0673	3.0907	3.1797	2.6508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.471	C1	N2	H7	131.230
C1	N5	N4	105.685	N2	C1	N5	108.498
N2	C1	H6	124.859	N2	N3	N4	106.240
N3	N2	H7	120.299	N3	N4	N5	111.106
N5	C1	H6	126.643

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

using model chemistry: MP2/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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All results from a given calculation for CH2N4 (1H-Tetrazole)

using model chemistry: MP2/CEP-121G*

States and conformations

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