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	hartrees
Energy at 0K	-297.677207
Energy at 298.15K	-297.684811
Nuclear repulsion energy	232.390246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3272	3164	0.08
2	A	3165	3061	0.45
3	A	3130	3027	5.05
4	A	3062	2961	17.55
5	A	1515	1465	5.03
6	A	1484	1435	11.21
7	A	1481	1433	14.10
8	A	1455	1407	0.90
9	A	1409	1362	14.42
10	A	1320	1277	12.66
11	A	1298	1255	10.04
12	A	1234	1193	10.75
13	A	1161	1123	9.91
14	A	1152	1114	0.00
15	A	1046	1011	28.34
16	A	1037	1002	11.37
17	A	1022	989	4.88
18	A	899	869	11.51
19	A	728	704	4.82
20	A	714	690	12.38
21	A	697	674	7.62
22	A	375	362	5.47
23	A	233	225	4.56
24	A	89	86	0.02

Atom	x (Å)	y (Å)	z (Å)
H1	2.306	-1.195	0.000
C2	1.412	-0.597	0.000
N3	0.191	-1.111	-0.000
N4	1.406	0.750	-0.000
N5	0.147	1.106	0.000
N6	-0.555	-0.016	-0.000
H7	-2.363	-0.553	-0.887
H8	-2.344	0.994	-0.003
H9	-2.363	-0.549	0.890
C10	-2.005	-0.036	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0755	2.1165	2.1429	3.1545	3.0940	4.7957	5.1393	4.7967	4.4634
C2	1.0755		1.3244	1.3472	2.1207	2.0506	3.8781	4.0789	3.8786	3.4621
N3	2.1165	1.3244		2.2224	2.2165	1.3244	2.7606	3.2949	2.7626	2.4444
N4	2.1429	1.3472	2.2224		1.3081	2.1055	4.0859	3.7580	4.0850	3.5004
N5	3.1545	2.1207	2.2165	1.3081		1.3234	3.1372	2.4937	3.1354	2.4361
N6	3.0940	2.0506	1.3244	2.1055	1.3234		2.0845	2.0547	2.0846	1.4499
H7	4.7957	3.8781	2.7606	4.0859	3.1372	2.0845		1.7827	1.7769	1.0876
H8	5.1393	4.0789	3.2949	3.7580	2.4937	2.0547	1.7827		1.7827	1.0850
H9	4.7967	3.8786	2.7626	4.0850	3.1354	2.0846	1.7769	1.7827		1.0876
C10	4.4634	3.4621	2.4444	3.5004	2.4361	1.4499	1.0876	1.0850	1.0876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.414	H1	C2	N4	124.007
C2	N3	N6	101.461	C2	N4	N5	106.001
N3	C2	N4	112.579	N3	N6	N5	113.675
N3	N6	C10	123.483	N4	N5	N6	106.283
N5	N6	C10	122.842	N6	C10	H7	109.638
N6	C10	H8	107.425	N6	C10	H9	109.648
H7	C10	H8	110.278	H7	C10	H9	109.550
H8	C10	H9	110.272

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	0.191
2	C	0.694
3	N	-0.508
4	N	-0.610
5	N	-0.187
6	N	-0.054
7	H	0.155
8	H	0.159
9	H	0.155
10	C	0.005

	x	y	z	Total
	-2.508	-1.486	0.001	2.916
CHELPG
AIM
ESP

	x	y	z
x	9.881	-0.043	-0.000
y	-0.043	7.807	-0.000
z	-0.000	-0.000	5.343

<r²>	124.004
(<r²>)^1/2	11.136

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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