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	hartrees
Energy at 0K	-297.616982
Energy at 298.15K	-297.624374
HF Energy	-297.616982
Nuclear repulsion energy	228.591397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3643	3516	62.92
2	A'	3156	3046	2.30
3	A'	3046	2939	14.16
4	A'	1578	1523	42.38
5	A'	1507	1454	0.87
6	A'	1421	1372	0.33
7	A'	1413	1364	23.89
8	A'	1355	1308	3.62
9	A'	1264	1220	16.36
10	A'	1104	1066	2.02
11	A'	1071	1033	10.89
12	A'	1052	1015	24.43
13	A'	1004	969	0.44
14	A'	991	957	1.23
15	A'	682	658	3.38
16	A'	328	317	3.79
17	A"	3107	2998	9.80
18	A"	1497	1445	7.36
19	A"	1069	1032	1.39
20	A"	734	708	5.69
21	A"	702	678	14.62
22	A"	578	557	62.86
23	A"	269	260	0.09
24	A"	82	79	0.46

Atom	x (Å)	y (Å)	z (Å)
N1	-1.148	-0.056	0.000
C2	0.000	0.598	0.000
C3	0.179	2.076	0.000
H4	0.728	2.411	0.886
H5	0.728	2.411	-0.886
H6	-0.806	2.545	0.000
N7	0.992	-0.319	0.000
N8	0.452	-1.559	0.000
N9	-0.828	-1.381	0.000
H10	1.995	-0.206	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3209	2.5110	3.2230	3.2230	2.6229	2.1560	2.1948	1.3631	3.1460
C2	1.3209		1.4889	2.1451	2.1451	2.1069	1.3509	2.2037	2.1449	2.1506
C3	2.5110	1.4889		1.0948	1.0948	1.0906	2.5292	3.6452	3.6005	2.9162
H4	3.2230	2.1451	1.0948		1.7724	1.7763	2.8820	4.0768	4.1931	3.0393
H5	3.2230	2.1451	1.0948	1.7724		1.7763	2.8820	4.0768	4.1931	3.0393
H6	2.6229	2.1069	1.0906	1.7763	1.7763		3.3812	4.2919	3.9256	3.9254
N7	2.1560	1.3509	2.5292	2.8820	2.8820	3.3812		1.3528	2.1071	1.0088
N8	2.1948	2.2037	3.6452	4.0768	4.0768	4.2919	1.3528		1.2917	2.0522
N9	1.3631	2.1449	3.6005	4.1931	4.1931	3.9256	2.1071	1.2917		3.0572
H10	3.1460	2.1506	2.9162	3.0393	3.0393	3.9254	1.0088	2.0522	3.0572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.572	N1	C2	N7	107.596
N1	N9	N8	111.502	C2	N1	N9	106.089
C2	C3	H4	111.334	C2	C3	H5	111.334
C2	C3	H6	108.543	C2	N7	N8	109.185
C2	N7	H10	130.837	C3	C2	N7	125.833
H4	C3	H5	108.082	H4	C3	H6	108.742
H5	C3	H6	108.742	N7	N8	N9	105.629
N8	N7	H10	119.978

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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