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	hartrees
Energy at 0K	-297.487380
Energy at 298.15K	-297.494835
HF Energy	-297.487380
Nuclear repulsion energy	230.885829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3228	3182	0.63
2	A	3129	3084	1.46
3	A	3092	3048	8.46
4	A	3018	2975	20.99
5	A	1481	1460	6.88
6	A	1452	1432	11.18
7	A	1430	1409	6.63
8	A	1420	1399	3.62
9	A	1359	1339	12.39
10	A	1273	1254	9.49
11	A	1239	1221	10.74
12	A	1183	1166	6.99
13	A	1123	1107	0.01
14	A	1121	1105	9.40
15	A	1018	1004	15.22
16	A	1004	990	14.70
17	A	958	945	20.38
18	A	844	832	13.95
19	A	702	692	5.84
20	A	695	685	10.10
21	A	671	662	4.50
22	A	367	362	5.17
23	A	223	220	4.83
24	A	72	71	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.312	-1.207	0.000
C2	1.416	-0.604	0.000
N3	0.186	-1.122	0.000
N4	1.415	0.753	-0.000
N5	0.152	1.119	0.000
N6	-0.559	-0.017	-0.000
H7	-2.373	-0.552	-0.893
H8	-2.346	1.004	-0.003
H9	-2.373	-0.548	0.895
C10	-2.013	-0.034	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0805	2.1284	2.1557	3.1747	3.1079	4.8142	5.1567	4.8152	4.4817
C2	1.0805		1.3347	1.3570	2.1369	2.0599	3.8927	4.0913	3.8933	3.4760
N3	2.1284	1.3347		2.2419	2.2408	1.3320	2.7690	3.3058	2.7704	2.4530
N4	2.1557	1.3570	2.2419		1.3153	2.1188	4.1047	3.7700	4.1039	3.5176
N5	3.1747	2.1369	2.2408	1.3153		1.3398	3.1563	2.5008	3.1548	2.4529
N6	3.1079	2.0599	1.3320	2.1188	1.3398		2.0913	2.0586	2.0914	1.4546
H7	4.8142	3.8927	2.7690	4.1047	3.1563	2.0913		1.7927	1.7879	1.0928
H8	5.1567	4.0913	3.3058	3.7700	2.5008	2.0586	1.7927		1.7927	1.0902
H9	4.8152	3.8933	2.7704	4.1039	3.1548	2.0914	1.7879	1.7927		1.0929
C10	4.4817	3.4760	2.4530	3.5176	2.4529	1.4546	1.0928	1.0902	1.0929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.246	H1	C2	N4	123.957
C2	N3	N6	101.151	C2	N4	N5	106.178
N3	C2	N4	112.797	N3	N6	N5	114.003
N3	N6	C10	123.292	N4	N5	N6	105.872
N5	N6	C10	122.705	N6	C10	H7	109.545
N6	C10	H8	107.116	N6	C10	H9	109.552
H7	C10	H8	110.408	H7	C10	H9	109.772
H8	C10	H9	110.403

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

using model chemistry: B97D3/TZVP

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	0.108
2	C	-0.150
3	N	-0.069
4	N	-0.037
5	N	-0.109
6	N	0.058
7	H	0.149
8	H	0.157
9	H	0.149
10	C	-0.255

	x	y	z	Total
	-2.521	-1.488	-0.000	2.927
CHELPG
AIM
ESP

<r²>	124.966
(<r²>)^1/2	11.179

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

using model chemistry: B97D3/TZVP

States and conformations

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