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	hartrees
Energy at 0K	-297.594661
Energy at 298.15K	-297.602195
HF Energy	-297.594661
Nuclear repulsion energy	231.167784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3312	3178	1.33
2	A	3206	3076	1.61
3	A	3172	3043	8.43
4	A	3092	2967	19.50
5	A	1545	1482	6.20
6	A	1519	1457	9.25
7	A	1494	1433	9.42
8	A	1472	1412	1.39
9	A	1405	1348	15.09
10	A	1318	1265	12.29
11	A	1308	1255	9.30
12	A	1239	1189	11.45
13	A	1170	1122	11.05
14	A	1161	1113	0.01
15	A	1038	995	13.04
16	A	1034	992	33.22
17	A	1015	974	3.19
18	A	883	847	11.54
19	A	716	687	5.21
20	A	710	681	13.32
21	A	683	655	5.02
22	A	362	347	4.84
23	A	229	220	5.43
24	A	89	86	0.00

Atom	x (Å)	y (Å)	z (Å)
H1	2.308	-1.201	0.000
C2	1.410	-0.603	0.000
N3	0.186	-1.121	-0.000
N4	1.409	0.756	0.000
N5	0.149	1.110	-0.000
N6	-0.552	-0.014	-0.000
H7	-2.363	-0.554	-0.891
H8	-2.340	1.003	-0.004
H9	-2.363	-0.547	0.895
C10	-2.007	-0.034	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0794	2.1231	2.1542	3.1630	3.0967	4.7993	5.1443	4.8008	4.4698
C2	1.0794		1.3287	1.3591	2.1269	2.0482	3.8770	4.0792	3.8780	3.4634
N3	2.1231	1.3287		2.2405	2.2316	1.3311	2.7596	3.3008	2.7624	2.4477
N4	2.1542	1.3591	2.2405		1.3089	2.1066	4.0916	3.7572	4.0902	3.5059
N5	3.1630	2.1269	2.2316	1.3089		1.3242	3.1422	2.4912	3.1399	2.4403
N6	3.0967	2.0482	1.3311	2.1066	1.3242		2.0896	2.0570	2.0898	1.4549
H7	4.7993	3.8770	2.7596	4.0916	3.1422	2.0896		1.7923	1.7862	1.0917
H8	5.1443	4.0792	3.3008	3.7572	2.4912	2.0570	1.7923		1.7922	1.0892
H9	4.8008	3.8780	2.7624	4.0902	3.1399	2.0898	1.7862	1.7922		1.0917
C10	4.4698	3.4634	2.4477	3.5059	2.4403	1.4549	1.0917	1.0892	1.0917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.354	H1	C2	N4	123.710
C2	N3	N6	100.717	C2	N4	N5	105.711
N3	C2	N4	112.936	N3	N6	N5	114.369
N3	N6	C10	122.881	N4	N5	N6	106.267
N5	N6	C10	122.750	N6	C10	H7	109.453
N6	C10	H8	107.025	N6	C10	H9	109.470
H7	C10	H8	110.531	H7	C10	H9	109.788
H8	C10	H9	110.524

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

using model chemistry: TPSSh/6-31G*

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	0.201
2	C	0.198
3	N	-0.283
4	N	-0.298
5	N	-0.055
6	N	-0.063
7	H	0.209
8	H	0.217
9	H	0.209
10	C	-0.336

	x	y	z	Total
	-2.477	-1.455	0.000	2.873
CHELPG
AIM
ESP

	x	y	z
x	8.571	-0.145	-0.000
y	-0.145	6.501	-0.000
z	-0.000	-0.000	3.726

<r²>	124.268
(<r²>)^1/2	11.148

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

using model chemistry: TPSSh/6-31G*

States and conformations

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