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	hartrees
Energy at 0K	-51.972356
Energy at 298.15K	-51.980167
Nuclear repulsion energy	123.249082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3469	3134	2.87
2	A	3357	3032	6.93
3	A	3325	3004	20.10
4	A	3238	2926	34.77
5	A	1676	1514	14.00
6	A	1634	1476	12.44
7	A	1611	1456	8.33
8	A	1586	1433	1.36
9	A	1572	1420	49.67
10	A	1481	1338	8.93
11	A	1443	1304	28.21
12	A	1392	1258	32.92
13	A	1255	1133	0.72
14	A	1249	1128	10.96
15	A	1161	1049	28.30
16	A	1138	1028	29.41
17	A	1117	1009	8.73
18	A	1006	909	13.27
19	A	784	709	7.63
20	A	758	685	24.70
21	A	746	674	8.50
22	A	396	358	5.56
23	A	247	223	5.60
24	A	86	78	0.05

Atom	x (Å)	y (Å)	z (Å)
H1	2.352	-1.144	0.000
C2	1.450	-0.568	0.000
N3	0.250	-1.090	-0.000
N4	1.418	0.777	0.000
N5	0.168	1.094	-0.000
N6	-0.508	-0.013	-0.000
H7	-2.307	-0.580	-0.884
H8	-2.318	0.962	-0.004
H9	-2.307	-0.573	0.888
C10	-1.965	-0.058	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0703	2.1029	2.1366	3.1275	3.0752	4.7756	5.1233	4.7773	4.4515
C2	1.0703		1.3091	1.3457	2.0993	2.0349	3.8597	4.0671	3.8608	3.4529
N3	2.1029	1.3091		2.2028	2.1860	1.3168	2.7529	3.2876	2.7558	2.4436
N4	2.1366	1.3457	2.2028		1.2896	2.0814	4.0617	3.7404	4.0604	3.4841
N5	3.1275	2.0993	2.1860	1.2896		1.2970	3.1156	2.4892	3.1133	2.4236
N6	3.0752	2.0349	1.3168	2.0814	1.2970		2.0831	2.0566	2.0834	1.4578
H7	4.7756	3.8597	2.7529	4.0617	3.1156	2.0831		1.7759	1.7716	1.0821
H8	5.1233	4.0671	3.2876	3.7404	2.4892	2.0566	1.7759		1.7758	1.0797
H9	4.7773	3.8608	2.7558	4.0604	3.1133	2.0834	1.7716	1.7758		1.0821
C10	4.4515	3.4529	2.4436	3.4841	2.4236	1.4578	1.0821	1.0797	1.0821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.905	H1	C2	N4	123.953
C2	N3	N6	101.595	C2	N4	N5	105.596
N3	C2	N4	112.142	N3	N6	N5	113.506
N3	N6	C10	123.368	N4	N5	N6	107.161
N5	N6	C10	123.126	N6	C10	H7	109.307
N6	C10	H8	107.346	N6	C10	H9	109.326
H7	C10	H8	110.465	H7	C10	H9	109.888
H8	C10	H9	110.458

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

using model chemistry: HF/CEP-121G*

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	0.212
2	C	-0.225
3	N	-0.096
4	N	-0.105
5	N	-0.098
6	N	0.105
7	H	0.203
8	H	0.218
9	H	0.203
10	C	-0.418

	x	y	z	Total
	-2.576	-1.508	0.000	2.985
CHELPG
AIM
ESP

	x	y	z
x	8.257	-0.011	-0.001
y	-0.011	6.544	0.000
z	-0.001	0.000	4.299

<r²>	99.434
(<r²>)^1/2	9.972

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

using model chemistry: HF/CEP-121G*

States and conformations

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