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	hartrees
Energy at 0K	-292.064168
Energy at 298.15K	-292.071480
Nuclear repulsion energy	224.955450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4105	3352	127.99
2	A	3768	3076	4.01
3	A	3573	2917	0.59
4	A	1849	1510	39.15
5	A	1797	1467	1.77
6	A	1701	1389	6.36
7	A	1629	1330	14.08
8	A	1595	1302	1.59
9	A	1504	1228	11.39
10	A	1245	1016	21.52
11	A	1224	1000	8.74
12	A	1202	982	2.27
13	A	1152	941	11.11
14	A	1085	886	9.31
15	A	751	613	4.51
16	A	353	288	2.56
17	A	3740	3054	1.01
18	A	1792	1463	6.70
19	A	1259	1028	4.87
20	A	743	607	0.68
21	A	728	594	13.93
22	A	520	425	103.80
23	A	294	240	0.00
24	A	103	84	0.63

Atom	x (Å)	y (Å)	z (Å)
N1	-1.166	-0.022	0.000
C2	0.000	0.606	0.000
C3	0.226	2.104	0.000
H4	0.784	2.405	0.884
H5	0.784	2.405	-0.884
H6	-0.737	2.604	0.000
N7	1.002	-0.334	0.000
N8	0.428	-1.599	0.000
N9	-0.865	-1.398	0.000
H10	2.019	-0.208	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3244	2.5408	3.2361	3.2361	2.6605	2.1909	2.2423	1.4087	3.1906
C2	1.3244		1.5145	2.1520	2.1520	2.1295	1.3747	2.2462	2.1828	2.1772
C3	2.5408	1.5145		1.0879	1.0879	1.0854	2.5589	3.7080	3.6676	2.9259
H4	3.2361	2.1520	1.0879		1.7682	1.7707	2.8868	4.1155	4.2380	3.0226
H5	3.2361	2.1520	1.0879	1.7682		1.7707	2.8868	4.1155	4.2380	3.0226
H6	2.6605	2.1295	1.0854	1.7707	1.7707		3.4149	4.3613	4.0039	3.9379
N7	2.1909	1.3747	2.5589	2.8868	2.8868	3.4149		1.3886	2.1489	1.0245
N8	2.2423	2.2462	3.7080	4.1155	4.1155	4.3613	1.3886		1.3084	2.1130
N9	1.4087	2.1828	3.6676	4.2380	4.2380	4.0039	2.1489	1.3084		3.1197
H10	3.1906	2.1772	2.9259	3.0226	3.0226	3.9379	1.0245	2.1130	3.1197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.886	N1	C2	N7	108.511
N1	N9	N8	111.176	C2	N1	N9	105.961
C2	C3	H4	110.496	C2	C3	H5	110.496
C2	C3	H6	108.862	C2	N7	N8	108.749
C2	N7	H10	129.743	C3	C2	N7	124.602
H4	C3	H5	108.716	H4	C3	H6	109.122
H5	C3	H6	109.122	N7	N8	N9	105.602
N8	N7	H10	121.508

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

using model chemistry: HF/STO-3G

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	-0.196
2	C	0.204
3	C	-0.187
4	H	0.087
5	H	0.087
6	H	0.104
7	N	-0.251
8	N	-0.036
9	N	-0.067
10	H	0.253

	x	y	z	Total
	3.999	3.606	0.000	5.385
CHELPG
AIM
ESP

	x	y	z
x	4.163	0.266	0.000
y	0.266	4.581	0.000
z	0.000	0.000	1.636

<r²>	131.086
(<r²>)^1/2	11.449

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

using model chemistry: HF/STO-3G

States and conformations

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