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	hartrees
Energy at 0K	-296.753261
Energy at 298.15K	-296.760701
HF Energy	-295.818256
Nuclear repulsion energy	227.339313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3660	3486	97.92
2	A	3223	3070	0.58
3	A	3097	2950	12.51
4	A	1593	1517	33.82
5	A	1513	1441	0.59
6	A	1444	1375	25.01
7	A	1411	1344	1.37
8	A	1335	1272	8.42
9	A	1201	1144	7.15
10	A	1142	1088	1.56
11	A	1116	1063	16.50
12	A	1071	1020	17.95
13	A	1015	966	1.37
14	A	992	945	0.74
15	A	690	657	3.58
16	A	330	315	4.42
17	A	3187	3035	6.13
18	A	1484	1414	9.47
19	A	1066	1015	0.91
20	A	737	702	12.76
21	A	704	671	22.58
22	A	603	575	48.45
23	A	265	252	0.08
24	A	88	84	0.44

Atom	x (Å)	y (Å)	z (Å)
N1	-1.156	-0.061	0.000
C2	0.000	0.603	0.000
C3	0.184	2.084	0.000
H4	0.733	2.420	0.894
H5	0.733	2.420	-0.894
H6	-0.809	2.554	0.000
N7	0.993	-0.322	0.000
N8	0.468	-1.561	0.000
N9	-0.842	-1.386	0.000
H10	2.002	-0.201	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3334	2.5295	3.2447	3.2447	2.6379	2.1651	2.2103	1.3609	3.1615
C2	1.3334		1.4924	2.1541	2.1541	2.1119	1.3574	2.2139	2.1595	2.1575
C3	2.5295	1.4924		1.1020	1.1020	1.0987	2.5387	3.6560	3.6182	2.9197
H4	3.2447	2.1541	1.1020		1.7884	1.7879	2.8964	4.0891	4.2151	3.0460
H5	3.2447	2.1541	1.1020	1.7884		1.7879	2.8964	4.0891	4.2151	3.0460
H6	2.6379	2.1119	1.0987	1.7879	1.7879		3.3941	4.3082	3.9393	3.9356
N7	2.1651	1.3574	2.5387	2.8964	2.8964	3.3941		1.3455	2.1212	1.0165
N8	2.2103	2.2139	3.6560	4.0891	4.0891	4.3082	1.3455		1.3216	2.0510
N9	1.3609	2.1595	3.6182	4.2151	4.2151	3.9393	2.1212	1.3216		3.0817
H10	3.1615	2.1575	2.9197	3.0460	3.0460	3.9356	1.0165	2.0510	3.0817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.963	N1	C2	N7	107.147
N1	N9	N8	110.960	C2	N1	N9	106.547
C2	C3	H4	111.367	C2	C3	H5	111.367
C2	C3	H6	108.224	C2	N7	N8	109.982
C2	N7	H10	130.135	C3	C2	N7	125.890
H4	C3	H5	108.470	H4	C3	H6	108.672
H5	C3	H6	108.672	N7	N8	N9	105.363
N8	N7	H10	119.882

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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