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	hartrees
Energy at 0K	-51.962505
Energy at 298.15K	-51.970302
Nuclear repulsion energy	122.923925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3496	3139	5.50
2	A	3386	3040	12.07
3	A	3355	3013	29.81
4	A	3269	2935	43.15
5	A	1686	1514	17.21
6	A	1634	1467	13.18
7	A	1609	1445	8.84
8	A	1590	1428	20.54
9	A	1576	1415	31.43
10	A	1501	1348	10.45
11	A	1452	1304	36.20
12	A	1414	1270	35.19
13	A	1254	1127	11.05
14	A	1250	1123	0.68
15	A	1170	1051	26.69
16	A	1144	1028	23.22
17	A	1113	999	8.54
18	A	1011	908	13.02
19	A	780	700	7.93
20	A	756	679	25.56
21	A	744	669	7.93
22	A	391	351	5.15
23	A	246	221	6.28
24	A	90	81	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.357	-1.148	-0.000
C2	1.453	-0.569	0.000
N3	0.248	-1.094	0.000
N4	1.422	0.779	-0.000
N5	0.168	1.097	0.000
N6	-0.509	-0.014	-0.000
H7	-2.311	-0.581	-0.888
H8	-2.321	0.968	-0.003
H9	-2.311	-0.575	0.891
C10	-1.968	-0.057	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0740	2.1093	2.1421	3.1362	3.0827	4.7857	5.1345	4.7871	4.4609
C2	1.0740		1.3143	1.3479	2.1040	2.0392	3.8676	4.0749	3.8683	3.4594
N3	2.1093	1.3143		2.2106	2.1931	1.3195	2.7574	3.2946	2.7596	2.4474
N4	2.1421	1.3479	2.2106		1.2941	2.0879	4.0713	3.7481	4.0703	3.4920
N5	3.1362	2.1040	2.1931	1.2941		1.3014	3.1228	2.4925	3.1204	2.4281
N6	3.0827	2.0392	1.3195	2.0879	1.3014		2.0871	2.0607	2.0872	1.4596
H7	4.7857	3.8676	2.7574	4.0713	3.1228	2.0871		1.7834	1.7788	1.0864
H8	5.1345	4.0749	3.2946	3.7481	2.4925	2.0607	1.7834		1.7833	1.0837
H9	4.7871	3.8683	2.7596	4.0703	3.1204	2.0872	1.7788	1.7833		1.0864
C10	4.4609	3.4594	2.4474	3.4920	2.4281	1.4596	1.0864	1.0837	1.0864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.748	H1	C2	N4	123.988
C2	N3	N6	101.471	C2	N4	N5	105.555
N3	C2	N4	112.265	N3	N6	N5	113.595
N3	N6	C10	123.360	N4	N5	N6	107.115
N5	N6	C10	123.045	N6	C10	H7	109.245
N6	C10	H8	107.318	N6	C10	H9	109.254
H7	C10	H8	110.535	H7	C10	H9	109.908
H8	C10	H9	110.527

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

using model chemistry: HF/CEP-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	0.251
2	C	-0.525
3	N	0.089
4	N	0.003
5	N	-0.050
6	N	0.078
7	H	0.184
8	H	0.206
9	H	0.184
10	C	-0.418

	x	y	z	Total
	-2.578	-1.530	-0.000	2.998
CHELPG
AIM
ESP

	x	y	z
x	8.014	0.003	-0.001
y	0.003	6.307	0.000
z	-0.001	0.000	3.830

<r²>	99.781
(<r²>)^1/2	9.989

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

using model chemistry: HF/CEP-31G*

States and conformations

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