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	hartrees
Energy at 0K	-295.613565
Energy at 298.15K	-295.621422
Nuclear repulsion energy	232.888610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3552	3207	0.57
2	A	3362	3036	1.28
3	A	3334	3010	9.57
4	A	3247	2932	19.82
5	A	1666	1504	10.78
6	A	1641	1482	15.27
7	A	1628	1470	9.85
8	A	1618	1461	2.38
9	A	1546	1396	56.97
10	A	1426	1287	9.06
11	A	1419	1281	14.53
12	A	1359	1227	13.42
13	A	1286	1161	0.15
14	A	1234	1114	17.63
15	A	1145	1034	15.27
16	A	1122	1013	8.18
17	A	1098	991	42.41
18	A	1026	927	18.22
19	A	800	722	11.78
20	A	774	699	4.86
21	A	762	688	22.24
22	A	404	365	6.97
23	A	277	250	11.47
24	A	80	72	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	2.311	-1.177	0.000
C2	1.421	-0.601	0.000
N3	0.205	-1.100	-0.000
N4	1.393	0.756	0.000
N5	0.143	1.101	-0.000
N6	-0.560	-0.012	-0.000
H7	-2.355	-0.562	-0.880
H8	-2.355	0.972	-0.003
H9	-2.355	-0.556	0.884
C10	-2.006	-0.047	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0594	2.1075	2.1398	3.1445	3.0983	4.7875	5.1363	4.7891	4.4620
C2	1.0594		1.3148	1.3575	2.1288	2.0674	3.8776	4.0905	3.8787	3.4717
N3	2.1075	1.3148		2.2033	2.2014	1.3295	2.7593	3.2924	2.7621	2.4484
N4	2.1398	1.3575	2.2033		1.2965	2.0988	4.0690	3.7536	4.0680	3.4919
N5	3.1445	2.1288	2.2014	1.2965		1.3168	3.1273	2.5010	3.1253	2.4360
N6	3.0983	2.0674	1.3295	2.0988	1.3168		2.0729	2.0463	2.0732	1.4458
H7	4.7875	3.8776	2.7593	4.0690	3.1273	2.0729		1.7668	1.7642	1.0783
H8	5.1363	4.0905	3.2924	3.7536	2.5010	2.0463	1.7668		1.7668	1.0764
H9	4.7891	3.8787	2.7621	4.0680	3.1253	2.0732	1.7642	1.7668		1.0783
C10	4.4620	3.4717	2.4484	3.4919	2.4360	1.4458	1.0783	1.0764	1.0783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	124.808	H1	C2	N4	124.129
C2	N3	N6	102.859	C2	N4	N5	106.641
N3	C2	N4	111.063	N3	N6	N5	112.582
N3	N6	C10	123.771	N4	N5	N6	106.855
N5	N6	C10	123.647	N6	C10	H7	109.563
N6	C10	H8	107.555	N6	C10	H9	109.583
H7	C10	H8	110.171	H7	C10	H9	109.770
H8	C10	H9	110.165

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

using model chemistry: HF/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	CHELPG
1	H	0.262	-0.008
2	C	0.208	0.738
3	N	-0.215	-0.773
4	N	-0.346	-0.500
5	N	0.064	-0.287
6	N	-0.444	0.809
7	H	0.212	0.175
8	H	0.219	0.127
9	H	0.212	0.175
10	C	-0.172	-0.456

	x	y	z	Total
	-2.631	-1.715	0.001	3.141
CHELPG	-2.538	-1.634	0.001	3.019
AIM
ESP

	x	y	z
x	7.722	-0.067	-0.000
y	-0.067	5.991	0.000
z	-0.000	0.000	3.347

<r²>	124.100
(<r²>)^1/2	11.140

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

using model chemistry: HF/6-31G

States and conformations

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