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	hartrees
Energy at 0K	-294.735404
Energy at 298.15K	-294.742659
HF Energy	-294.069260
Nuclear repulsion energy	222.672055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3339	3187	0.10
2	A	3221	3074	0.41
3	A	3205	3059	4.95
4	A	3118	2976	8.74
5	A	1596	1524	13.54
6	A	1578	1507	11.67
7	A	1503	1434	1.19
8	A	1355	1293	6.35
9	A	1317	1257	21.62
10	A	1256	1199	0.21
11	A	1184	1130	0.00
12	A	1173	1120	10.96
13	A	1094	1045	10.39
14	A	1000	954	1.81
15	A	953	909	1.13
16	A	902	860	20.83
17	A	897	856	9.77
18	A	869	830	18.36
19	A	687	656	8.63
20	A	633	604	0.89
21	A	630	601	12.37
22	A	320	305	4.34
23	A	209	199	7.52
24	A	77	73	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.326	-1.247	-0.000
C2	1.446	-0.630	-0.000
N3	0.181	-1.169	0.000
N4	1.500	0.747	0.000
N5	0.157	1.194	-0.000
N6	-0.596	-0.015	-0.000
H7	-2.427	-0.548	-0.895
H8	-2.391	1.011	-0.003
H9	-2.427	-0.542	0.898
C10	-2.076	-0.032	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0754	2.1467	2.1581	3.2658	3.1714	4.8868	5.2300	4.8882	4.5664
C2	1.0754		1.3752	1.3772	2.2332	2.1323	3.9754	4.1730	3.9762	3.5717
N3	2.1467	1.3752		2.3259	2.3640	1.3914	2.8262	3.3720	2.8283	2.5269
N4	2.1581	1.3772	2.3259		1.4152	2.2300	4.2301	3.8998	4.2290	3.6592
N5	3.2658	2.2332	2.3640	1.4152		1.4250	3.2424	2.5549	3.2404	2.5477
N6	3.1714	2.1323	1.3914	2.2300	1.4250		2.1060	2.0677	2.1062	1.4796
H7	4.8868	3.9754	2.8262	4.2301	3.2424	2.1060		1.7965	1.7931	1.0909
H8	5.2300	4.1730	3.3720	3.8998	2.5549	2.0677	1.7965		1.7965	1.0902
H9	4.8882	3.9762	2.8283	4.2290	3.2404	2.1062	1.7931	1.7965		1.0909
C10	4.5664	3.5717	2.5269	3.6592	2.5477	1.4796	1.0909	1.0902	1.0909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	121.850	H1	C2	N4	122.793
C2	N3	N6	100.838	C2	N4	N5	106.206
N3	C2	N4	115.357	N3	N6	N5	114.135
N3	N6	C10	123.288	N4	N5	N6	103.464
N5	N6	C10	122.578	N6	C10	H7	109.095
N6	C10	H8	106.157	N6	C10	H9	109.110
H7	C10	H8	110.910	H7	C10	H9	110.539
H8	C10	H9	110.905

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

using model chemistry: MP2/3-21G

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	ESP
1	H	0.253	0.052
2	C	0.175	0.481
3	N	-0.251	-0.563
4	N	-0.290	-0.383
5	N	-0.045	-0.245
6	N	-0.229	0.589
7	H	0.239	0.183
8	H	0.245	0.151
9	H	0.239	0.183
10	C	-0.337	-0.450

	x	y	z	Total
	-2.764	-1.582	-0.000	3.185
CHELPG
AIM
ESP	-2.717	-1.578	-0.001	3.142

	x	y	z
x	7.971	-0.304	-0.000
y	-0.304	5.975	0.000
z	-0.000	0.000	3.031

<r²>	132.325
(<r²>)^1/2	11.503

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

using model chemistry: MP2/3-21G

States and conformations

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