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	hartrees
Energy at 0K	-297.591724
Energy at 298.15K	-297.599319
Nuclear repulsion energy	231.948093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3288	3173	0.35
2	A	3180	3068	0.64
3	A	3142	3032	5.93
4	A	3068	2961	17.85
5	A	1514	1461	4.82
6	A	1483	1431	11.11
7	A	1477	1426	9.03
8	A	1450	1399	0.85
9	A	1417	1368	12.74
10	A	1320	1274	14.42
11	A	1305	1259	8.27
12	A	1247	1203	10.11
13	A	1163	1123	10.30
14	A	1152	1112	0.04
15	A	1049	1012	33.34
16	A	1038	1001	14.54
17	A	1026	990	3.47
18	A	903	871	7.54
19	A	728	702	4.26
20	A	718	693	12.81
21	A	697	672	7.81
22	A	371	358	4.97
23	A	232	224	4.08
24	A	90	87	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	2.307	-1.199	0.000
C2	1.411	-0.599	0.000
N3	0.188	-1.116	-0.000
N4	1.409	0.752	-0.000
N5	0.148	1.109	0.000
N6	-0.555	-0.017	-0.000
H7	-2.368	-0.552	-0.890
H8	-2.341	1.002	-0.003
H9	-2.368	-0.548	0.893
C10	-2.005	-0.034	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0778	2.1199	2.1475	3.1600	3.0960	4.8020	5.1418	4.8030	4.4657
C2	1.0778		1.3277	1.3510	2.1244	2.0505	3.8825	4.0789	3.8831	3.4621
N3	2.1199	1.3277		2.2315	2.2256	1.3267	2.7645	3.2985	2.7664	2.4452
N4	2.1475	1.3510	2.2315		1.3103	2.1093	4.0933	3.7577	4.0924	3.5028
N5	3.1600	2.1244	2.2256	1.3103		1.3279	3.1434	2.4910	3.1417	2.4375
N6	3.0960	2.0505	1.3267	2.1093	1.3279		2.0888	2.0558	2.0889	1.4496
H7	4.8020	3.8825	2.7645	4.0933	3.1434	2.0888		1.7896	1.7825	1.0918
H8	5.1418	4.0789	3.2985	3.7577	2.4910	2.0558	1.7896		1.7895	1.0891
H9	4.8030	3.8831	2.7664	4.0924	3.1417	2.0889	1.7825	1.7895		1.0918
C10	4.4657	3.4621	2.4452	3.5028	2.4375	1.4496	1.0918	1.0891	1.0918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.261	H1	C2	N4	123.916
C2	N3	N6	101.159	C2	N4	N5	105.913
N3	C2	N4	112.823	N3	N6	N5	113.944
N3	N6	C10	123.409	N4	N5	N6	106.162
N5	N6	C10	122.648	N6	C10	H7	109.752
N6	C10	H8	107.300	N6	C10	H9	109.764
H7	C10	H8	110.287	H7	C10	H9	109.432
H8	C10	H9	110.280

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.148
2	C	0.082
3	N	-0.252
4	N	-0.206
5	N	-0.122
6	N	0.165
7	H	0.164
8	H	0.174
9	H	0.164
10	C	-0.318

	x	y	z	Total
	-2.407	-1.413	0.000	2.791
CHELPG
AIM
ESP

	x	y	z
x	8.823	-0.166	-0.003
y	-0.166	6.621	0.002
z	-0.003	0.002	4.117

<r²>	123.685
(<r²>)^1/2	11.121

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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