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	hartrees
Energy at 0K	-297.684033
Energy at 298.15K	-297.691640
HF Energy	-297.684033
Nuclear repulsion energy	232.350378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3275	3169	0.09
2	A	3167	3064	0.44
3	A	3132	3030	5.15
4	A	3064	2965	17.60
5	A	1512	1463	5.30
6	A	1483	1435	10.82
7	A	1478	1430	13.27
8	A	1453	1405	0.89
9	A	1406	1360	14.87
10	A	1317	1275	12.43
11	A	1293	1251	9.71
12	A	1228	1188	10.28
13	A	1157	1119	9.70
14	A	1151	1114	0.00
15	A	1043	1009	27.55
16	A	1033	999	11.21
17	A	1018	985	6.96
18	A	901	871	11.71
19	A	728	705	4.90
20	A	712	689	12.34
21	A	698	675	7.42
22	A	373	361	5.43
23	A	234	227	4.53
24	A	89	86	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.309	-1.194	0.001
C2	1.415	-0.597	0.001
N3	0.193	-1.110	-0.000
N4	1.407	0.750	-0.001
N5	0.147	1.106	0.001
N6	-0.557	-0.016	-0.000
H7	-2.365	-0.555	-0.888
H8	-2.347	0.993	-0.002
H9	-2.365	-0.551	0.890
C10	-2.007	-0.037	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0752	2.1181	2.1435	3.1568	3.0989	4.8006	5.1443	4.8013	4.4690
C2	1.0752		1.3252	1.3475	2.1233	2.0559	3.8831	4.0842	3.8832	3.4678
N3	2.1181	1.3252		2.2213	2.2162	1.3259	2.7636	3.2975	2.7654	2.4477
N4	2.1435	1.3475	2.2213		1.3092	2.1085	4.0884	3.7617	4.0881	3.5040
N5	3.1568	2.1233	2.2162	1.3092		1.3249	3.1393	2.4964	3.1374	2.4388
N6	3.0989	2.0559	1.3259	2.1085	1.3249		2.0844	2.0549	2.0845	1.4503
H7	4.8006	3.8831	2.7636	4.0884	3.1393	2.0844		1.7831	1.7773	1.0876
H8	5.1443	4.0842	3.2975	3.7617	2.4964	2.0549	1.7831		1.7830	1.0850
H9	4.8013	3.8832	2.7654	4.0881	3.1374	2.0845	1.7773	1.7830		1.0876
C10	4.4690	3.4678	2.4477	3.5040	2.4388	1.4503	1.0876	1.0850	1.0876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.526	H1	C2	N4	124.057
C2	N3	N6	101.693	C2	N4	N5	106.097
N3	C2	N4	112.418	N3	N6	N5	113.446
N3	N6	C10	123.624	N4	N5	N6	106.347
N5	N6	C10	122.930	N6	C10	H7	109.602
N6	C10	H8	107.411	N6	C10	H9	109.606
H7	C10	H8	110.309	H7	C10	H9	109.579
H8	C10	H9	110.302

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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