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	hartrees
Energy at 0K	-297.494951
Energy at 298.15K	-297.502434
HF Energy	-297.494951
Nuclear repulsion energy	231.176385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3223	3178	1.29
2	A	3124	3080	1.68
3	A	3085	3042	8.84
4	A	3015	2972	21.88
5	A	1479	1458	6.48
6	A	1451	1431	9.56
7	A	1430	1410	8.46
8	A	1416	1396	2.16
9	A	1360	1341	10.66
10	A	1273	1255	10.49
11	A	1243	1226	9.08
12	A	1185	1168	6.90
13	A	1123	1107	0.03
14	A	1122	1106	8.52
15	A	1018	1003	22.03
16	A	1003	989	10.35
17	A	970	956	18.02
18	A	860	848	11.80
19	A	710	700	4.43
20	A	695	686	10.40
21	A	679	670	7.30
22	A	364	359	4.72
23	A	223	220	4.02
24	A	78	77	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.309	-1.208	0.000
C2	1.415	-0.603	0.000
N3	0.185	-1.120	0.000
N4	1.414	0.752	-0.000
N5	0.151	1.116	-0.000
N6	-0.557	-0.016	-0.000
H7	-2.370	-0.553	-0.891
H8	-2.346	1.003	-0.002
H9	-2.370	-0.549	0.893
C10	-2.010	-0.034	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0797	2.1267	2.1548	3.1717	3.1042	4.8080	5.1531	4.8090	4.4763
C2	1.0797		1.3342	1.3558	2.1341	2.0573	3.8881	4.0888	3.8887	3.4719
N3	2.1267	1.3342		2.2402	2.2367	1.3297	2.7641	3.3025	2.7656	2.4489
N4	2.1548	1.3558	2.2402		1.3147	2.1161	4.1007	3.7682	4.1000	3.5136
N5	3.1717	2.1341	2.2367	1.3147		1.3359	3.1518	2.4992	3.1504	2.4482
N6	3.1042	2.0573	1.3297	2.1161	1.3359		2.0897	2.0584	2.0898	1.4532
H7	4.8080	3.8881	2.7641	4.1007	3.1518	2.0897		1.7914	1.7842	1.0920
H8	5.1531	4.0888	3.3025	3.7682	2.4992	2.0584	1.7914		1.7914	1.0892
H9	4.8090	3.8887	2.7656	4.1000	3.1504	2.0898	1.7842	1.7914		1.0920
C10	4.4763	3.4719	2.4489	3.5136	2.4482	1.4532	1.0920	1.0892	1.0920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.175	H1	C2	N4	124.040
C2	N3	N6	101.236	C2	N4	N5	106.072
N3	C2	N4	112.785	N3	N6	N5	113.988
N3	N6	C10	123.295	N4	N5	N6	105.917
N5	N6	C10	122.717	N6	C10	H7	109.546
N6	C10	H8	107.333	N6	C10	H9	109.569
H7	C10	H8	110.389	H7	C10	H9	109.582
H8	C10	H9	110.386

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

using model chemistry: B97D3/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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Number	Element	Mulliken
1	H	0.103
2	C	-0.021
3	N	-0.189
4	N	-0.145
5	N	-0.106
6	N	0.172
7	H	0.105
8	H	0.111
9	H	0.104
10	C	-0.135

	x	y	z	Total
	-2.432	-1.412	-0.000	2.812
CHELPG
AIM
ESP

	x	y	z
x	9.694	-0.164	-0.000
y	-0.164	7.317	-0.000
z	-0.000	-0.000	4.695

<r²>	124.517
(<r²>)^1/2	11.159

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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