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	hartrees
Energy at 0K	-297.486261
Energy at 298.15K	-297.493884
Nuclear repulsion energy	232.218266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3295	3180	0.11
2	A	3206	3094	0.06
3	A	3169	3058	4.04
4	A	3079	2971	17.54
5	A	1518	1465	7.56
6	A	1470	1419	13.70
7	A	1448	1398	8.86
8	A	1448	1397	11.88
9	A	1418	1369	1.94
10	A	1331	1284	15.69
11	A	1323	1277	9.91
12	A	1280	1235	11.23
13	A	1163	1122	10.05
14	A	1130	1091	0.26
15	A	1062	1025	30.41
16	A	1039	1002	14.91
17	A	1032	996	1.26
18	A	890	859	11.12
19	A	731	705	12.36
20	A	730	704	4.43
21	A	699	674	7.26
22	A	374	361	4.80
23	A	236	227	4.49
24	A	92	89	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.311	-1.202	-0.000
C2	1.409	-0.597	0.000
N3	0.185	-1.116	0.000
N4	1.405	0.754	-0.000
N5	0.147	1.106	0.000
N6	-0.553	-0.019	-0.000
H7	-2.365	-0.554	-0.895
H8	-2.334	1.009	-0.003
H9	-2.365	-0.548	0.898
C10	-1.999	-0.033	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0864	2.1275	2.1555	3.1642	3.0986	4.8048	5.1446	4.8063	4.4655
C2	1.0864		1.3287	1.3512	2.1201	2.0448	3.8784	4.0729	3.8793	3.4537
N3	2.1275	1.3287		2.2328	2.2231	1.3228	2.7607	3.2963	2.7629	2.4379
N4	2.1555	1.3512	2.2328		1.3066	2.1046	4.0895	3.7478	4.0885	3.4938
N5	3.1642	2.1201	2.2231	1.3066		1.3248	3.1412	2.4828	3.1391	2.4298
N6	3.0986	2.0448	1.3228	2.1046	1.3248		2.0908	2.0567	2.0910	1.4463
H7	4.8048	3.8784	2.7607	4.0895	3.1412	2.0908		1.8000	1.7934	1.0981
H8	5.1446	4.0729	3.2963	3.7478	2.4828	2.0567	1.8000		1.7999	1.0954
H9	4.8063	3.8793	2.7629	4.0885	3.1391	2.0910	1.7934	1.7999		1.0982
C10	4.4655	3.4537	2.4379	3.4938	2.4298	1.4463	1.0981	1.0954	1.0982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.194	H1	C2	N4	123.959
C2	N3	N6	100.921	C2	N4	N5	105.799
N3	C2	N4	112.846	N3	N6	N5	114.215
N3	N6	C10	123.323	N4	N5	N6	106.219
N5	N6	C10	122.462	N6	C10	H7	109.762
N6	C10	H8	107.229	N6	C10	H9	109.774
H7	C10	H8	110.288	H7	C10	H9	109.481
H8	C10	H9	110.279

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

using model chemistry: B3PW91/cc-pVDZ

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	0.055
2	C	0.166
3	N	-0.184
4	N	-0.202
5	N	-0.057
6	N	-0.086
7	H	0.080
8	H	0.078
9	H	0.080
10	C	0.070

	x	y	z	Total
	-2.464	-1.413	-0.000	2.841
CHELPG
AIM
ESP

<r²>	123.352
(<r²>)^1/2	11.106

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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