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	hartrees
Energy at 0K	-297.044298
Energy at 298.15K	-297.051705
HF Energy	-295.910048
Nuclear repulsion energy	228.899112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3668	3490	99.23
2	A'	3206	3051	0.33
3	A'	3093	2943	9.25
4	A'	1582	1505	38.57
5	A'	1521	1447	0.10
6	A'	1438	1368	25.77
7	A'	1424	1355	2.21
8	A'	1337	1272	6.85
9	A'	1189	1131	7.09
10	A'	1137	1081	1.28
11	A'	1108	1054	17.84
12	A'	1070	1018	19.06
13	A'	1013	964	0.50
14	A'	998	950	0.74
15	A'	689	656	3.21
16	A'	333	317	4.43
17	A"	3171	3018	4.04
18	A"	1501	1428	9.07
19	A"	1076	1023	0.66
20	A"	738	702	11.20
21	A"	708	673	22.26
22	A"	622	592	48.01
23	A"	266	253	0.13
24	A"	64	61	0.70

Atom	x (Å)	y (Å)	z (Å)
N1	-1.148	-0.058	0.000
C2	0.000	0.599	0.000
C3	0.180	2.070	0.000
H4	0.723	2.400	0.883
H5	0.723	2.400	-0.883
H6	-0.801	2.534	0.000
N7	0.988	-0.316	0.000
N8	0.464	-1.553	0.000
N9	-0.834	-1.380	0.000
H10	1.988	-0.199	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3226	2.5088	3.2134	3.2134	2.6149	2.1516	2.1985	1.3588	3.1393
C2	1.3226		1.4827	2.1329	2.1329	2.0946	1.3466	2.2013	2.1472	2.1421
C3	2.5088	1.4827		1.0881	1.0881	1.0853	2.5199	3.6348	3.5963	2.9018
H4	3.2134	2.1329	1.0881		1.7662	1.7671	2.8689	4.0594	4.1828	3.0228
H5	3.2134	2.1329	1.0881	1.7662		1.7671	2.8689	4.0594	4.1828	3.0228
H6	2.6149	2.0946	1.0853	1.7671	1.7671		3.3654	4.2784	3.9140	3.9052
N7	2.1516	1.3466	2.5199	2.8689	2.8689	3.3654		1.3434	2.1096	1.0068
N8	2.1985	2.2013	3.6348	4.0594	4.0594	4.2784	1.3434		1.3090	2.0389
N9	1.3588	2.1472	3.5963	4.1828	4.1828	3.9140	2.1096	1.3090		3.0589
H10	3.1393	2.1421	2.9018	3.0228	3.0228	3.9052	1.0068	2.0389	3.0589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.740	N1	C2	N7	107.426
N1	N9	N8	110.977	C2	N1	N9	106.398
C2	C3	H4	111.199	C2	C3	H5	111.199
C2	C3	H6	108.306	C2	N7	N8	109.831
C2	N7	H10	130.515	C3	C2	N7	125.834
H4	C3	H5	108.503	H4	C3	H6	108.788
H5	C3	H6	108.788	N7	N8	N9	105.368
N8	N7	H10	119.655

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

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

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