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	hartrees
Energy at 0K	-295.794189
Energy at 298.15K	-295.801607
HF Energy	-295.794189
Nuclear repulsion energy	227.662601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3364	3189	0.51
2	A	3222	3054	0.08
3	A	3202	3035	3.75
4	A	3118	2955	8.13
5	A	1567	1485	17.16
6	A	1547	1467	17.95
7	A	1492	1414	8.27
8	A	1408	1335	2.60
9	A	1393	1320	20.53
10	A	1269	1203	8.83
11	A	1252	1186	6.75
12	A	1175	1114	0.54
13	A	1131	1072	7.63
14	A	1113	1055	7.43
15	A	1020	966	1.42
16	A	971	921	17.04
17	A	943	894	22.60
18	A	918	870	33.57
19	A	718	681	10.42
20	A	689	653	8.65
21	A	669	634	0.83
22	A	342	324	5.63
23	A	223	212	8.79
24	A	66	63	0.02

Atom	x (Å)	y (Å)	z (Å)
H1	2.338	-1.205	-0.001
C2	1.447	-0.611	-0.002
N3	0.202	-1.127	0.001
N4	1.432	0.756	0.002
N5	0.139	1.145	-0.002
N6	-0.580	-0.015	-0.000
H7	-2.387	-0.570	-0.891
H8	-2.378	0.985	-0.003
H9	-2.386	-0.563	0.896
C10	-2.037	-0.048	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0713	2.1375	2.1602	3.2180	3.1513	4.8498	5.2002	4.8516	4.5255
C2	1.0713		1.3473	1.3672	2.1889	2.1123	3.9353	4.1446	3.9371	3.5288
N3	2.1375	1.3473		2.2494	2.2725	1.3591	2.7941	3.3348	2.7964	2.4854
N4	2.1602	1.3672	2.2494		1.3501	2.1551	4.1401	3.8173	4.1378	3.5612
N5	3.2180	2.1889	2.2725	1.3501		1.3649	3.1797	2.5225	3.1783	2.4817
N6	3.1513	2.1123	1.3591	2.1551	1.3649		2.0893	2.0580	2.0896	1.4573
H7	4.8498	3.9353	2.7941	4.1401	3.1797	2.0893		1.7909	1.7868	1.0904
H8	5.2002	4.1446	3.3348	3.8173	2.5225	2.0580	1.7909		1.7909	1.0886
H9	4.8516	3.9371	2.7964	4.1378	3.1783	2.0896	1.7868	1.7909		1.0905
C10	4.5255	3.5288	2.4854	3.5612	2.4817	1.4573	1.0904	1.0886	1.0905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.812	H1	C2	N4	124.270
C2	N3	N6	102.609	C2	N4	N5	107.323
N3	C2	N4	111.917	N3	N6	N5	113.071
N3	N6	C10	123.839	N4	N5	N6	105.079
N5	N6	C10	123.090	N6	C10	H7	109.332
N6	C10	H8	106.976	N6	C10	H9	109.355
H7	C10	H8	110.543	H7	C10	H9	110.032
H8	C10	H9	110.540

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

using model chemistry: wB97X-D/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
1	H	0.284
2	C	0.204
3	N	-0.272
4	N	-0.312
5	N	-0.030
6	N	-0.279
7	H	0.267
8	H	0.271
9	H	0.267
10	C	-0.399

	x	y	z	Total
	-2.625	-1.579	-0.000	3.064
CHELPG
AIM
ESP

	x	y	z
x	7.828	-0.220	-0.000
y	-0.220	5.805	-0.000
z	-0.000	-0.000	3.054

<r²>	127.378
(<r²>)^1/2	11.286

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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