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	hartrees
Energy at 0K	-297.330155
Energy at 298.15K	-297.337729
Nuclear repulsion energy	228.998490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3377	3235	0.44
2	A	3222	3085	0.28
3	A	3190	3055	5.75
4	A	3099	2968	13.19
5	A	1543	1478	14.00
6	A	1523	1458	17.85
7	A	1493	1430	7.62
8	A	1437	1376	1.48
9	A	1416	1356	16.23
10	A	1290	1235	12.66
11	A	1267	1214	7.33
12	A	1181	1131	5.19
13	A	1177	1127	0.15
14	A	1141	1093	12.31
15	A	1028	985	4.26
16	A	1007	964	17.68
17	A	963	923	22.41
18	A	899	861	20.19
19	A	718	688	8.71
20	A	715	684	9.61
21	A	696	666	2.02
22	A	374	358	5.96
23	A	250	240	9.22
24	A	87	84	0.00

Atom	x (Å)	y (Å)	z (Å)
H1	2.324	-1.206	0.000
C2	1.430	-0.612	0.000
N3	0.190	-1.131	-0.000
N4	1.427	0.758	-0.000
N5	0.147	1.136	0.000
N6	-0.573	-0.017	-0.000
H7	-2.382	-0.555	-0.891
H8	-2.358	0.997	-0.003
H9	-2.382	-0.550	0.894
C10	-2.020	-0.039	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0733	2.1357	2.1588	3.1974	3.1317	4.8335	5.1741	4.8347	4.4979
C2	1.0733		1.3442	1.3700	2.1684	2.0896	3.9146	4.1152	3.9154	3.4969
N3	2.1357	1.3442		2.2579	2.2676	1.3503	2.7817	3.3193	2.7838	2.4649
N4	2.1588	1.3700	2.2579		1.3344	2.1449	4.1257	3.7921	4.1248	3.5373
N5	3.1974	2.1684	2.2676	1.3344		1.3597	3.1699	2.5088	3.1681	2.4647
N6	3.1317	2.0896	1.3503	2.1449	1.3597		2.0864	2.0525	2.0865	1.4466
H7	4.8335	3.9146	2.7817	4.1257	3.1699	2.0864		1.7879	1.7842	1.0913
H8	5.1741	4.1152	3.3193	3.7921	2.5088	2.0525	1.7879		1.7878	1.0891
H9	4.8347	3.9154	2.7838	4.1248	3.1681	2.0865	1.7842	1.7878		1.0914
C10	4.4979	3.4969	2.4649	3.5373	2.4647	1.4466	1.0913	1.0891	1.0914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.730	H1	C2	N4	123.687
C2	N3	N6	101.702	C2	N4	N5	106.596
N3	C2	N4	112.583	N3	N6	N5	113.600
N3	N6	C10	123.563	N4	N5	N6	105.520
N5	N6	C10	122.837	N6	C10	H7	109.791
N6	C10	H8	107.238	N6	C10	H9	109.802
H7	C10	H8	110.163	H7	C10	H9	109.658
H8	C10	H9	110.157

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

using model chemistry: B3PW91/6-31G

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	0.229
2	C	0.142
3	N	-0.169
4	N	-0.276
5	N	0.023
6	N	-0.341
7	H	0.218
8	H	0.220
9	H	0.218
10	C	-0.263

	x	y	z	Total
	-2.608	-1.676	0.000	3.101
CHELPG
AIM
ESP

<r²>	126.494
(<r²>)^1/2	11.247

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

using model chemistry: B3PW91/6-31G

States and conformations

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