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	hartrees
Energy at 0K	-297.461033
Energy at 298.15K	-297.468658
Nuclear repulsion energy	233.173997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3335	3166	0.63
2	A	3234	3070	0.42
3	A	3202	3040	4.98
4	A	3117	2959	16.15
5	A	1554	1475	5.63
6	A	1522	1445	13.84
7	A	1506	1430	11.32
8	A	1468	1394	2.61
9	A	1460	1386	9.62
10	A	1358	1289	20.16
11	A	1352	1283	8.51
12	A	1296	1231	13.75
13	A	1190	1130	10.34
14	A	1162	1103	0.06
15	A	1074	1019	29.79
16	A	1063	1009	8.34
17	A	1034	982	6.06
18	A	898	853	10.07
19	A	735	698	14.06
20	A	732	695	4.61
21	A	703	667	6.50
22	A	374	355	4.96
23	A	239	227	5.29
24	A	93	88	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.299	-1.193	0.000
C2	1.403	-0.595	0.000
N3	0.186	-1.112	-0.000
N4	1.400	0.750	-0.000
N5	0.146	1.103	0.000
N6	-0.550	-0.018	-0.000
H7	-2.353	-0.550	-0.889
H8	-2.325	1.001	-0.003
H9	-2.353	-0.545	0.892
C10	-1.993	-0.034	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0776	2.1147	2.1407	3.1473	3.0819	4.7800	5.1182	4.7811	4.4453
C2	1.0776		1.3226	1.3444	2.1120	2.0362	3.8602	4.0551	3.8608	3.4414
N3	2.1147	1.3226		2.2232	2.2153	1.3191	2.7485	3.2821	2.7506	2.4308
N4	2.1407	1.3444	2.2232		1.3031	2.0957	4.0703	3.7337	4.0693	3.4820
N5	3.1473	2.1120	2.2153	1.3031		1.3186	3.1250	2.4728	3.1229	2.4214
N6	3.0819	2.0362	1.3191	2.0957	1.3186		2.0797	2.0467	2.0798	1.4427
H7	4.7800	3.8602	2.7485	4.0703	3.1250	2.0797		1.7865	1.7812	1.0894
H8	5.1182	4.0551	3.2821	3.7337	2.4728	2.0467	1.7865		1.7864	1.0871
H9	4.7811	3.8608	2.7506	4.0693	3.1229	2.0798	1.7812	1.7864		1.0895
C10	4.4453	3.4414	2.4308	3.4820	2.4214	1.4427	1.0894	1.0871	1.0895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.216	H1	C2	N4	123.845
C2	N3	N6	100.851	C2	N4	N5	105.816
N3	C2	N4	112.939	N3	N6	N5	114.254
N3	N6	C10	123.264	N4	N5	N6	106.140
N5	N6	C10	122.482	N6	C10	H7	109.649
N6	C10	H8	107.171	N6	C10	H9	109.659
H7	C10	H8	110.331	H7	C10	H9	109.670
H8	C10	H9	110.324

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

using model chemistry: B1B95/6-31G*

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	0.200
2	C	0.195
3	N	-0.276
4	N	-0.300
5	N	-0.045
6	N	-0.076
7	H	0.213
8	H	0.220
9	H	0.213
10	C	-0.344

	x	y	z	Total
	-2.479	-1.444	0.000	2.869
CHELPG
AIM
ESP

	x	y	z
x	8.328	-0.137	-0.001
y	-0.137	6.335	0.000
z	-0.001	0.000	3.690

<r²>	122.526
(<r²>)^1/2	11.069

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

using model chemistry: B1B95/6-31G*

States and conformations

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