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	hartrees
Energy at 0K	-296.297410
Energy at 298.15K	-296.304675
HF Energy	-295.650152
Nuclear repulsion energy	220.000885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3668	3533	104.10
2	A	3167	3050	4.90
3	A	3039	2926	18.98
4	A	1539	1482	12.21
5	A	1526	1469	42.57
6	A	1473	1418	6.47
7	A	1362	1312	35.38
8	A	1343	1293	15.83
9	A	1065	1026	0.96
10	A	1042	1004	1.78
11	A	992	955	10.88
12	A	986	949	1.45
13	A	879	847	0.89
14	A	864	832	25.24
15	A	657	633	2.33
16	A	323	311	3.86
17	A	3133	3017	16.60
18	A	1529	1473	15.41
19	A	1110	1069	1.50
20	A	763	735	139.14
21	A	680	655	0.00
22	A	654	630	0.23
23	A	248	239	0.05
24	A	85	82	0.53

Atom	x (Å)	y (Å)	z (Å)
N1	-1.189	-0.049	0.000
C2	0.000	0.632	0.000
C3	0.173	2.134	0.000
H4	0.719	2.474	0.897
H5	0.719	2.474	-0.897
H6	-0.826	2.595	0.000
N7	1.025	-0.304	0.000
N8	0.513	-1.618	0.000
N9	-0.875	-1.452	0.000
H10	2.033	-0.177	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3702	2.5734	3.2880	3.2880	2.6684	2.2290	2.3155	1.4384	3.2248
C2	1.3702		1.5128	2.1718	2.1718	2.1300	1.3878	2.3077	2.2599	2.1877
C3	2.5734	1.5128		1.1034	1.1034	1.1002	2.5831	3.7682	3.7366	2.9665
H4	3.2880	2.1718	1.1034		1.7938	1.7904	2.9356	4.1948	4.3313	3.0918
H5	3.2880	2.1718	1.1034	1.7938		1.7904	2.9356	4.1948	4.3313	3.0918
H6	2.6684	2.1300	1.1002	1.7904	1.7904		3.4396	4.4209	4.0474	3.9820
N7	2.2290	1.3878	2.5831	2.9356	2.9356	3.4396		1.4105	2.2195	1.0160
N8	2.3155	2.3077	3.7682	4.1948	4.1948	4.4209	1.4105		1.3973	2.0950
N9	1.4384	2.2599	3.7366	4.3313	4.3313	4.0474	2.2195	1.3973		3.1749
H10	3.2248	2.1877	2.9665	3.0918	3.0918	3.9820	1.0160	2.0950	3.1749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.338	N1	C2	N7	107.838
N1	N9	N8	109.472	C2	N1	N9	107.124
C2	C3	H4	111.255	C2	C3	H5	111.255
C2	C3	H6	108.166	C2	N7	N8	111.106
C2	N7	H10	130.400	C3	C2	N7	125.824
H4	C3	H5	108.746	H4	C3	H6	108.675
H5	C3	H6	108.675	N7	N8	N9	104.460
N8	N7	H10	118.494

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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