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	hartrees
Energy at 0K	-296.713967
Energy at 298.15K	-296.721580
HF Energy	-295.791488
Nuclear repulsion energy	231.999226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3358	3152	0.21
2	A	3256	3056	0.45
3	A	3229	3031	4.72
4	A	3143	2950	14.12
5	A	1575	1479	3.50
6	A	1548	1453	10.77
7	A	1535	1440	10.92
8	A	1503	1410	0.89
9	A	1489	1398	19.70
10	A	1413	1326	10.10
11	A	1368	1284	20.77
12	A	1293	1214	13.95
13	A	1207	1132	10.93
14	A	1186	1113	0.02
15	A	1103	1035	18.46
16	A	1085	1018	16.84
17	A	1052	987	4.84
18	A	899	844	12.50
19	A	741	695	16.45
20	A	729	685	5.73
21	A	698	655	6.23
22	A	381	358	5.32
23	A	240	226	5.81
24	A	69	65	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.306	-1.199	0.000
C2	1.410	-0.598	0.000
N3	0.185	-1.117	0.000
N4	1.410	0.752	-0.000
N5	0.145	1.108	0.000
N6	-0.553	-0.015	-0.000
H7	-2.358	-0.555	-0.891
H8	-2.338	1.002	-0.004
H9	-2.358	-0.548	0.895
C10	-2.004	-0.035	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0786	2.1229	2.1464	3.1616	3.0945	4.7925	5.1391	4.7942	4.4653
C2	1.0786		1.3303	1.3501	2.1249	2.0479	3.8728	4.0754	3.8737	3.4610
N3	2.1229	1.3303		2.2342	2.2255	1.3257	2.7529	3.2944	2.7556	2.4423
N4	2.1464	1.3501	2.2342		1.3148	2.1076	4.0868	3.7563	4.0855	3.5040
N5	3.1616	2.1249	2.2255	1.3148		1.3227	3.1345	2.4847	3.1319	2.4342
N6	3.0945	2.0479	1.3257	2.1076	1.3227		2.0841	2.0544	2.0844	1.4517
H7	4.7925	3.8728	2.7529	4.0868	3.1345	2.0841		1.7916	1.7859	1.0906
H8	5.1391	4.0754	3.2944	3.7563	2.4847	2.0544	1.7916		1.7916	1.0887
H9	4.7942	3.8737	2.7556	4.0855	3.1319	2.0844	1.7859	1.7916		1.0906
C10	4.4653	3.4610	2.4423	3.5040	2.4342	1.4517	1.0906	1.0887	1.0906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.257	H1	C2	N4	123.820
C2	N3	N6	100.896	C2	N4	N5	105.750
N3	C2	N4	112.923	N3	N6	N5	114.348
N3	N6	C10	123.065	N4	N5	N6	106.083
N5	N6	C10	122.587	N6	C10	H7	109.303
N6	C10	H8	107.067	N6	C10	H9	109.320
H7	C10	H8	110.591	H7	C10	H9	109.918
H8	C10	H9	110.583

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)

using model chemistry: MP3/6-31G*

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 (2H-Tetrazole, 2-methyl-)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)