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	hartrees
Energy at 0K	-296.717329
Energy at 298.15K	-296.724801
HF Energy	-295.795490
Nuclear repulsion energy	228.875965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3494	102.07
2	A	3227	3029	0.94
3	A	3118	2927	8.26
4	A	1665	1563	49.85
5	A	1568	1471	0.65
6	A	1501	1409	31.98
7	A	1479	1388	2.20
8	A	1422	1335	1.32
9	A	1344	1262	23.14
10	A	1153	1083	3.90
11	A	1148	1078	13.44
12	A	1111	1042	20.37
13	A	1042	978	0.36
14	A	1031	968	2.18
15	A	705	662	3.98
16	A	345	324	4.47
17	A	3188	2992	6.86
18	A	1542	1447	11.21
19	A	1105	1037	1.49
20	A	743	698	9.37
21	A	712	668	19.42
22	A	574	539	86.34
23	A	274	257	0.07
24	A	84	79	0.77

Atom	x (Å)	y (Å)	z (Å)
N1	-1.145	-0.052	0.000
C2	0.000	0.597	0.000
C3	0.188	2.075	0.000
H4	0.736	2.404	0.888
H5	0.736	2.404	-0.888
H6	-0.797	2.544	0.000
N7	0.988	-0.322	0.000
N8	0.447	-1.556	0.000
N9	-0.832	-1.381	0.000
H10	1.991	-0.212	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3160	2.5104	3.2185	3.2185	2.6192	2.1495	2.1895	1.3647	3.1398
C2	1.3160		1.4902	2.1438	2.1438	2.1036	1.3491	2.1987	2.1456	2.1490
C3	2.5104	1.4902		1.0939	1.0939	1.0905	2.5272	3.6404	3.6033	2.9125
H4	3.2185	2.1438	1.0939		1.7756	1.7768	2.8781	4.0687	4.1919	3.0344
H5	3.2185	2.1438	1.0939	1.7756		1.7768	2.8781	4.0687	4.1919	3.0344
H6	2.6192	2.1036	1.0905	1.7768	1.7768		3.3760	4.2842	3.9246	3.9200
N7	2.1495	1.3491	2.5272	2.8781	2.8781	3.3760		1.3473	2.1055	1.0093
N8	2.1895	2.1987	3.6404	4.0687	4.0687	4.2842	1.3473		1.2910	2.0471
N9	1.3647	2.1456	3.6033	4.1919	4.1919	3.9246	2.1055	1.2910		3.0556
H10	3.1398	2.1490	2.9125	3.0344	3.0344	3.9200	1.0093	2.0471	3.0556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.797	N1	C2	N7	107.510
N1	N9	N8	111.040	C2	N1	N9	106.318
C2	C3	H4	111.188	C2	C3	H5	111.188
C2	C3	H6	108.204	C2	N7	N8	109.261
C2	N7	H10	130.808	C3	C2	N7	125.692
H4	C3	H5	108.498	H4	C3	H6	108.855
H5	C3	H6	108.855	N7	N8	N9	105.870
N8	N7	H10	119.931

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)

using model chemistry: MP3/6-31G*

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 C2H4N4 (1H-Tetrazole, 5-methyl-)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)