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	hartrees
Energy at 0K	-296.008192
Energy at 298.15K	-296.015781
Nuclear repulsion energy	233.260285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3221	3169	0.27
2	A	3123	3073	0.51
3	A	3089	3040	0.69
4	A	3004	2956	9.55
5	A	1477	1453	8.69
6	A	1449	1426	4.22
7	A	1424	1401	9.60
8	A	1400	1378	12.96
9	A	1369	1347	1.14
10	A	1317	1296	20.68
11	A	1296	1276	12.58
12	A	1261	1241	4.23
13	A	1151	1132	9.81
14	A	1101	1083	1.08
15	A	1051	1034	25.55
16	A	1011	995	4.59
17	A	1006	990	13.18
18	A	864	850	8.21
19	A	738	726	9.49
20	A	723	712	1.78
21	A	698	687	10.16
22	A	365	359	5.23
23	A	238	234	4.05
24	A	101	99	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.308	-1.198	0.000
C2	1.404	-0.593	0.000
N3	0.183	-1.111	-0.000
N4	1.397	0.751	-0.000
N5	0.141	1.104	0.000
N6	-0.554	-0.022	-0.000
H7	-2.355	-0.553	-0.896
H8	-2.312	1.013	-0.002
H9	-2.355	-0.549	0.898
C10	-1.980	-0.035	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0876	2.1268	2.1513	3.1616	3.0938	4.7913	5.1213	4.7922	4.4433
C2	1.0876		1.3267	1.3436	2.1155	2.0395	3.8644	4.0480	3.8648	3.4304
N3	2.1268	1.3267		2.2222	2.2152	1.3142	2.7478	3.2758	2.7495	2.4160
N4	2.1513	1.3436	2.2222		1.3044	2.0981	4.0713	3.7177	4.0706	3.4673
N5	3.1616	2.1155	2.2152	1.3044		1.3235	3.1272	2.4546	3.1257	2.4080
N6	3.0938	2.0395	1.3142	2.0981	1.3235		2.0802	2.0399	2.0803	1.4267
H7	4.7913	3.8644	2.7478	4.0713	3.1272	2.0802		1.8036	1.7935	1.1006
H8	5.1213	4.0480	3.2758	3.7177	2.4546	2.0399	1.8036		1.8036	1.0985
H9	4.7922	3.8648	2.7495	4.0706	3.1257	2.0803	1.7935	1.8036		1.1006
C10	4.4433	3.4304	2.4160	3.4673	2.4080	1.4267	1.1006	1.0985	1.1006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.211	H1	C2	N4	124.141
C2	N3	N6	101.119	C2	N4	N5	106.047
N3	C2	N4	112.649	N3	N6	N5	114.238
N3	N6	C10	123.587	N4	N5	N6	105.948
N5	N6	C10	122.176	N6	C10	H7	110.119
N6	C10	H8	107.049	N6	C10	H9	110.128
H7	C10	H8	110.205	H7	C10	H9	109.128
H8	C10	H9	110.195

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

using model chemistry: LSDA/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	0.175
2	C	-0.012
3	N	-0.211
4	N	-0.174
5	N	-0.117
6	N	0.191
7	H	0.197
8	H	0.207
9	H	0.197
10	C	-0.453

	x	y	z	Total
	-2.406	-1.434	0.001	2.801
CHELPG
AIM
ESP

	x	y	z
x	9.034	-0.183	-0.000
y	-0.183	6.682	-0.000
z	-0.000	-0.000	4.171

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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