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	hartrees
Energy at 0K	-52.440647
Energy at 298.15K	-52.447881
HF Energy	-51.780165
Nuclear repulsion energy	115.627028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3634	3546	80.37
2	A	3123	3048	4.95
3	A	2990	2918	20.33
4	A	1529	1492	14.00
5	A	1520	1483	41.00
6	A	1464	1429	2.99
7	A	1362	1329	30.68
8	A	1330	1298	12.69
9	A	1067	1041	1.34
10	A	1038	1013	1.82
11	A	991	967	5.39
12	A	980	957	6.20
13	A	884	863	8.65
14	A	867	847	18.33
15	A	651	636	2.67
16	A	320	313	4.00
17	A	3086	3011	17.79
18	A	1504	1468	13.92
19	A	1088	1061	0.09
20	A	733	715	123.31
21	A	658	642	0.02
22	A	611	597	6.57
23	A	224	218	0.30
24	A	88	86	0.44

Atom	x (Å)	y (Å)	z (Å)
N1	-1.219	-0.043	0.000
C2	0.000	0.590	0.000
C3	0.227	2.092	0.000
H4	0.784	2.411	0.896
H5	0.784	2.411	-0.896
H6	-0.755	2.583	0.000
N7	0.992	-0.383	0.000
N8	0.433	-1.681	0.000
N9	-0.952	-1.463	0.000
H10	2.003	-0.282	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3733	2.5788	3.2915	3.2915	2.6666	2.2369	2.3266	1.4455	3.2303
C2	1.3733		1.5194	2.1754	2.1754	2.1313	1.3899	2.3123	2.2633	2.1843
C3	2.5788	1.5194		1.1019	1.1019	1.0982	2.5912	3.7792	3.7462	2.9646
H4	3.2915	2.1754	1.1019		1.7919	1.7892	2.9417	4.2037	4.3388	3.0884
H5	3.2915	2.1754	1.1019	1.7919		1.7892	2.9417	4.2037	4.3388	3.0884
H6	2.6666	2.1313	1.0982	1.7892	1.7892		3.4428	4.4269	4.0514	3.9766
N7	2.2369	1.3899	2.5912	2.9417	2.9417	3.4428		1.4131	2.2237	1.0158
N8	2.3266	2.3123	3.7792	4.2037	4.2037	4.4269	1.4131		1.4018	2.1030
N9	1.4455	2.2633	3.7462	4.3388	4.3388	4.0514	2.2237	1.4018		3.1820
H10	3.2303	2.1843	2.9646	3.0884	3.0884	3.9766	1.0158	2.1030	3.1820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.050	N1	C2	N7	108.097
N1	N9	N8	109.585	C2	N1	N9	106.799
C2	C3	H4	111.183	C2	C3	H5	111.183
C2	C3	H6	107.942	C2	N7	N8	111.155
C2	N7	H10	129.799	C3	C2	N7	125.853
H4	C3	H5	108.809	H4	C3	H6	108.832
H5	C3	H6	108.832	N7	N8	N9	104.364
N8	N7	H10	119.046

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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