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	hartrees
Energy at 0K	-296.108581
Energy at 298.15K	-296.115994
Nuclear repulsion energy	230.621833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3547	3508	77.07
2	A	3087	3053	0.13
3	A	2980	2948	5.18
4	A	1579	1562	50.04
5	A	1449	1433	1.54
6	A	1369	1355	31.47
7	A	1362	1347	5.24
8	A	1326	1311	0.69
9	A	1241	1227	18.85
10	A	1130	1117	5.82
11	A	1080	1068	1.43
12	A	1058	1047	29.49
13	A	1018	1007	2.59
14	A	948	937	0.40
15	A	696	689	2.35
16	A	329	325	4.63
17	A	3046	3013	1.24
18	A	1406	1391	11.26
19	A	1018	1007	3.30
20	A	742	734	4.37
21	A	699	691	13.79
22	A	608	601	62.35
23	A	267	264	0.03
24	A	83	82	0.38

Atom	x (Å)	y (Å)	z (Å)
N1	-1.133	-0.069	0.000
C2	0.000	0.597	0.000
C3	0.158	2.053	0.000
H4	0.702	2.405	0.889
H5	0.702	2.405	-0.889
H6	-0.838	2.510	0.000
N7	0.986	-0.311	0.000
N8	0.459	-1.539	0.000
N9	-0.813	-1.372	0.000
H10	1.995	-0.188	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3147	2.4839	3.2059	3.2059	2.5953	2.1330	2.1672	1.3421	3.1310
C2	1.3147		1.4640	2.1331	2.1331	2.0878	1.3403	2.1848	2.1311	2.1443
C3	2.4839	1.4640		1.0996	1.0996	1.0961	2.5041	3.6040	3.5603	2.8974
H4	3.2059	2.1331	1.0996		1.7773	1.7809	2.8715	4.0499	4.1659	3.0308
H5	3.2059	2.1331	1.0996	1.7773		1.7809	2.8715	4.0499	4.1659	3.0308
H6	2.5953	2.0878	1.0961	1.7809	1.7809		3.3586	4.2510	3.8820	3.9121
N7	2.1330	1.3403	2.5041	2.8715	2.8715	3.3586		1.3362	2.0893	1.0170
N8	2.1672	2.1848	3.6040	4.0499	4.0499	4.2510	1.3362		1.2836	2.0456
N9	1.3421	2.1311	3.5603	4.1659	4.1659	3.8820	2.0893	1.2836		3.0485
H10	3.1310	2.1443	2.8974	3.0308	3.0308	3.9121	1.0170	2.0456	3.0485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.656	N1	C2	N7	106.906
N1	N9	N8	111.229	C2	N1	N9	106.662
C2	C3	H4	111.837	C2	C3	H5	111.837
C2	C3	H6	108.424	C2	N7	N8	109.434
C2	N7	H10	130.416	C3	C2	N7	126.438
H4	C3	H5	107.828	H4	C3	H6	108.404
H5	C3	H6	108.404	N7	N8	N9	105.768
N8	N7	H10	120.150

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)

using model chemistry: LSDA/cc-pVTZ

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	N	-0.122
2	C	0.065
3	C	-0.336
4	H	0.132
5	H	0.132
6	H	0.142
7	N	-0.027
8	N	-0.083
9	N	-0.083
10	H	0.180

	x	y	z	Total
	4.115	4.070	0.000	5.787
CHELPG
AIM
ESP

	x	y	z
x	7.541	0.250	0.000
y	0.250	9.216	0.000
z	0.000	0.000	4.699

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H4N4 (1H-Tetrazole, 5-methyl-)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)