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	hartrees
Energy at 0K	-297.472034
Energy at 298.15K	-297.479652
Nuclear repulsion energy	232.871206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3315	3165	0.44
2	A	3217	3072	0.36
3	A	3185	3041	4.83
4	A	3098	2958	16.19
5	A	1540	1470	6.11
6	A	1503	1435	12.69
7	A	1485	1418	11.12
8	A	1453	1387	6.45
9	A	1443	1378	4.77
10	A	1346	1285	19.73
11	A	1339	1278	8.26
12	A	1285	1227	12.92
13	A	1183	1129	10.29
14	A	1148	1096	0.09
15	A	1066	1018	28.39
16	A	1051	1004	9.96
17	A	1028	982	5.77
18	A	895	855	10.21
19	A	731	698	13.46
20	A	728	695	4.60
21	A	698	667	6.34
22	A	372	355	5.03
23	A	237	226	5.26
24	A	93	89	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.301	-1.194	0.000
C2	1.405	-0.595	0.000
N3	0.186	-1.114	-0.000
N4	1.402	0.751	-0.000
N5	0.146	1.105	0.000
N6	-0.551	-0.018	-0.000
H7	-2.357	-0.549	-0.889
H8	-2.327	1.002	-0.003
H9	-2.357	-0.544	0.892
C10	-1.995	-0.034	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0778	2.1163	2.1425	3.1508	3.0846	4.7852	5.1220	4.7864	4.4494
C2	1.0778		1.3245	1.3462	2.1152	2.0388	3.8652	4.0586	3.8658	3.4453
N3	2.1163	1.3245		2.2266	2.2193	1.3209	2.7522	3.2850	2.7543	2.4337
N4	2.1425	1.3462	2.2266		1.3050	2.0987	4.0752	3.7371	4.0743	3.4860
N5	3.1508	2.1152	2.2193	1.3050		1.3213	3.1286	2.4747	3.1266	2.4243
N6	3.0846	2.0388	1.3209	2.0987	1.3213		2.0816	2.0478	2.0817	1.4439
H7	4.7852	3.8652	2.7522	4.0752	3.1286	2.0816		1.7863	1.7810	1.0896
H8	5.1220	4.0586	3.2850	3.7371	2.4747	2.0478	1.7863		1.7863	1.0872
H9	4.7864	3.8658	2.7543	4.0743	3.1266	2.0817	1.7810	1.7863		1.0896
C10	4.4494	3.4453	2.4337	3.4860	2.4243	1.4439	1.0896	1.0872	1.0896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.185	H1	C2	N4	123.854
C2	N3	N6	100.834	C2	N4	N5	105.839
N3	C2	N4	112.961	N3	N6	N5	114.272
N3	N6	C10	123.289	N4	N5	N6	106.093
N5	N6	C10	122.439	N6	C10	H7	109.708
N6	C10	H8	107.168	N6	C10	H9	109.719
H7	C10	H8	110.297	H7	C10	H9	109.625
H8	C10	H9	110.289

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	0.155
2	C	0.252
3	N	-0.281
4	N	-0.305
5	N	-0.046
6	N	-0.089
7	H	0.171
8	H	0.176
9	H	0.171
10	C	-0.204

	x	y	z	Total
	-2.487	-1.442	0.000	2.874
CHELPG
AIM
ESP

	x	y	z
x	8.453	-0.151	-0.001
y	-0.151	6.393	0.000
z	-0.001	0.000	3.735

<r²>	122.764
(<r²>)^1/2	11.080

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-)