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	hartrees
Energy at 0K	-296.817745
Energy at 298.15K	-296.825201
HF Energy	-295.854639
Nuclear repulsion energy	228.263835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3690	3507	88.41
2	A'	3207	3048	1.05
3	A'	3092	2938	10.85
4	A'	1600	1520	41.73
5	A'	1540	1464	0.78
6	A'	1455	1383	13.56
7	A'	1449	1377	16.52
8	A'	1364	1297	9.12
9	A'	1207	1147	7.44
10	A'	1150	1093	1.71
11	A'	1124	1068	20.85
12	A'	1081	1027	15.17
13	A'	1020	969	0.44
14	A'	1015	965	0.96
15	A'	691	657	3.82
16	A'	336	319	4.68
17	A"	3171	3014	7.30
18	A"	1521	1446	12.60
19	A"	1085	1031	0.93
20	A"	735	698	24.93
21	A"	712	677	29.74
22	A"	625	594	46.70
23	A"	263	250	0.08
24	A"	85	80	0.59

Atom	x (Å)	y (Å)	z (Å)
N1	-1.151	-0.057	0.000
C2	0.000	0.599	0.000
C3	0.181	2.075	0.000
H4	0.727	2.410	0.886
H5	0.727	2.410	-0.886
H6	-0.803	2.540	0.000
N7	0.993	-0.318	0.000
N8	0.458	-1.556	0.000
N9	-0.834	-1.382	0.000
H10	1.996	-0.206	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3249	2.5145	3.2243	3.2243	2.6209	2.1604	2.1992	1.3621	3.1503
C2	1.3249		1.4876	2.1430	2.1430	2.1014	1.3520	2.2030	2.1490	2.1516
C3	2.5145	1.4876		1.0927	1.0927	1.0891	2.5276	3.6418	3.6031	2.9143
H4	3.2243	2.1430	1.0927		1.7720	1.7727	2.8807	4.0724	4.1947	3.0389
H5	3.2243	2.1430	1.0927	1.7720		1.7727	2.8807	4.0724	4.1947	3.0389
H6	2.6209	2.1014	1.0891	1.7727	1.7727		3.3766	4.2864	3.9225	3.9211
N7	2.1604	1.3520	2.5276	2.8807	2.8807	3.3766		1.3484	2.1143	1.0086
N8	2.1992	2.2030	3.6418	4.0724	4.0724	4.2864	1.3484		1.3039	2.0463
N9	1.3621	2.1490	3.6031	4.1947	4.1947	3.9225	2.1143	1.3039		3.0643
H10	3.1503	2.1516	2.9143	3.0389	3.0389	3.9211	1.0086	2.0463	3.0643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.680	N1	C2	N7	107.613
N1	N9	N8	111.146	C2	N1	N9	106.207
C2	C3	H4	111.387	C2	C3	H5	111.387
C2	C3	H6	108.287	C2	N7	N8	109.329
C2	N7	H10	130.861	C3	C2	N7	125.707
H4	C3	H5	108.350	H4	C3	H6	108.680
H5	C3	H6	108.680	N7	N8	N9	105.705
N8	N7	H10	119.810

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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