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	hartrees
Energy at 0K	-297.392484
Energy at 298.15K	-297.399937
HF Energy	-297.392484
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3245	3182	2.32
2	A	3147	3085	1.96
3	A	3108	3047	9.63
4	A	3030	2971	22.95
5	A	1503	1474	6.96
6	A	1477	1448	9.76
7	A	1446	1418	7.30
8	A	1435	1407	3.04
9	A	1372	1345	11.44
10	A	1282	1257	11.59
11	A	1261	1236	8.47
12	A	1203	1179	7.87
13	A	1135	1113	0.07
14	A	1134	1112	9.49
15	A	1020	1000	23.14
16	A	1009	989	10.21
17	A	983	964	17.99
18	A	846	829	10.42
19	A	704	690	4.86
20	A	700	687	11.15
21	A	670	657	5.16
22	A	366	358	4.81
23	A	221	217	5.11
24	A	83	82	0.00

Atom	x (Å)	y (Å)	z (Å)
H1	2.313	-1.214	0.000
C2	1.416	-0.606	0.000
N3	0.182	-1.128	-0.000
N4	1.421	0.754	0.000
N5	0.153	1.123	-0.000
N6	-0.559	-0.016	-0.000
H7	-2.375	-0.552	-0.895
H8	-2.348	1.010	-0.002
H9	-2.375	-0.548	0.898
C10	-2.015	-0.032	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0839	2.1334	2.1610	3.1825	3.1120	4.8187	5.1645	4.8196	4.4863
C2	1.0839		1.3396	1.3604	2.1413	2.0609	3.8954	4.0960	3.8960	3.4780
N3	2.1334	1.3396		2.2530	2.2508	1.3358	2.7692	3.3115	2.7709	2.4542
N4	2.1610	1.3604	2.2530		1.3203	2.1239	4.1130	3.7775	4.1121	3.5241
N5	3.1825	2.1413	2.2508	1.3203		1.3430	3.1623	2.5038	3.1608	2.4562
N6	3.1120	2.0609	1.3358	2.1239	1.3430		2.0948	2.0622	2.0949	1.4559
H7	4.8187	3.8954	2.7692	4.1130	3.1623	2.0948		1.7993	1.7932	1.0965
H8	5.1645	4.0960	3.3115	3.7775	2.5038	2.0622	1.7993		1.7993	1.0937
H9	4.8196	3.8960	2.7709	4.1121	3.1608	2.0949	1.7932	1.7993		1.0966
C10	4.4863	3.4780	2.4542	3.5241	2.4562	1.4559	1.0965	1.0937	1.0966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	122.999	H1	C2	N4	123.896
C2	N3	N6	100.806	C2	N4	N5	106.018
N3	C2	N4	113.104	N3	N6	N5	114.369
N3	N6	C10	123.040	N4	N5	N6	105.701
N5	N6	C10	122.590	N6	C10	H7	109.531
N6	C10	H8	107.219	N6	C10	H9	109.556
H7	C10	H8	110.414	H7	C10	H9	109.672
H8	C10	H9	110.411

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

using model chemistry: B97D3/6-31G*

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	0.181
2	C	0.195
3	N	-0.272
4	N	-0.282
5	N	-0.060
6	N	-0.046
7	H	0.200
8	H	0.207
9	H	0.200
10	C	-0.323

	x	y	z	Total
	-2.434	-1.436	0.000	2.825
CHELPG
AIM
ESP

	x	y	z
x	8.786	-0.160	0.000
y	-0.160	6.589	-0.000
z	0.000	-0.000	3.752

<r²>	124.921
(<r²>)^1/2	11.177

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

using model chemistry: B97D3/6-31G*

States and conformations

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