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	hartrees
Energy at 0K	-296.907950
Energy at 298.15K	-296.915406
HF Energy	-295.824579
Nuclear repulsion energy	228.562959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3691	3486	103.49
2	A	3235	3055	0.07
3	A	3115	2942	6.66
4	A	1587	1499	38.38
5	A	1531	1446	0.09
6	A	1447	1367	22.97
7	A	1431	1352	1.32
8	A	1343	1269	8.43
9	A	1200	1133	5.17
10	A	1155	1091	0.71
11	A	1124	1062	20.61
12	A	1074	1014	17.52
13	A	1020	963	1.02
14	A	1003	948	0.92
15	A	691	653	3.81
16	A	332	313	4.38
17	A	3198	3021	3.01
18	A	1511	1427	9.10
19	A	1078	1018	1.62
20	A	742	701	12.26
21	A	710	670	21.71
22	A	630	595	49.60
23	A	270	255	0.22
24	A	81	76	0.63

Atom	x (Å)	y (Å)	z (Å)
N1	-1.149	-0.063	0.000
C2	0.000	0.599	0.000
C3	0.180	2.073	0.000
H4	0.724	2.408	0.885
H5	0.724	2.408	-0.885
H6	-0.804	2.538	0.000
N7	0.988	-0.317	0.000
N8	0.469	-1.552	0.000
N9	-0.838	-1.381	0.000
H10	1.989	-0.198	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3265	2.5162	3.2245	3.2245	2.6235	2.1519	2.1993	1.3540	3.1412
C2	1.3265		1.4849	2.1394	2.1394	2.0985	1.3474	2.2024	2.1501	2.1429
C3	2.5162	1.4849		1.0912	1.0912	1.0881	2.5234	3.6374	3.6009	2.9038
H4	3.2245	2.1394	1.0912		1.7692	1.7708	2.8770	4.0658	4.1923	3.0285
H5	3.2245	2.1394	1.0912	1.7692		1.7708	2.8770	4.0658	4.1923	3.0285
H6	2.6235	2.0985	1.0881	1.7708	1.7708		3.3706	4.2837	3.9185	3.9097
N7	2.1519	1.3474	2.5234	2.8770	2.8770	3.3706		1.3397	2.1125	1.0086
N8	2.1993	2.2024	3.6374	4.0658	4.0658	4.2837	1.3397		1.3180	2.0360
N9	1.3540	2.1501	3.6009	4.1923	4.1923	3.9185	2.1125	1.3180		3.0643
H10	3.1412	2.1429	2.9038	3.0285	3.0285	3.9097	1.0086	2.0360	3.0643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.917	N1	C2	N7	107.173
N1	N9	N8	110.787	C2	N1	N9	106.659
C2	C3	H4	111.382	C2	C3	H5	111.382
C2	C3	H6	108.297	C2	N7	N8	110.096
C2	N7	H10	130.340	C3	C2	N7	125.910
H4	C3	H5	108.330	H4	C3	H6	108.691
H5	C3	H6	108.691	N7	N8	N9	105.285
N8	N7	H10	119.564

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

using model chemistry: MP2/6-31G(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: MP2/6-31G(2df,p)

States and conformations

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