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	hartrees
Energy at 0K	-295.823387
Energy at 298.15K	-295.831260
Nuclear repulsion energy	235.437806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3464	3145	0.74
2	A	3354	3045	1.88
3	A	3318	3013	11.28
4	A	3230	2933	27.77
5	A	1697	1541	14.45
6	A	1613	1465	16.61
7	A	1590	1444	26.73
8	A	1579	1434	10.39
9	A	1559	1415	5.98
10	A	1492	1354	12.15
11	A	1458	1324	22.02
12	A	1423	1292	32.23
13	A	1252	1137	12.08
14	A	1242	1128	0.04
15	A	1164	1057	47.06
16	A	1148	1043	12.34
17	A	1135	1030	8.75
18	A	1016	923	9.45
19	A	801	727	6.22
20	A	773	702	22.34
21	A	767	696	10.71
22	A	406	368	5.60
23	A	254	231	5.62
24	A	88	80	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.298	-1.178	0.000
C2	1.399	-0.588	0.000
N3	0.197	-1.092	-0.000
N4	1.380	0.752	0.000
N5	0.143	1.078	-0.000
N6	-0.541	-0.014	-0.000
H7	-2.342	-0.559	-0.887
H8	-2.331	0.990	-0.004
H9	-2.342	-0.552	0.891
C10	-1.988	-0.039	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0747	2.1025	2.1368	3.1196	3.0681	4.7639	5.1112	4.7656	4.4345
C2	1.0747		1.3037	1.3401	2.0868	2.0235	3.8448	4.0503	3.8459	3.4315
N3	2.1025	1.3037		2.1908	2.1713	1.3067	2.7416	3.2751	2.7443	2.4256
N4	2.1368	1.3401	2.1908		1.2790	2.0680	4.0441	3.7185	4.0429	3.4595
N5	3.1196	2.0868	2.1713	1.2790		1.2891	3.1053	2.4759	3.1030	2.4065
N6	3.0681	2.0235	1.3067	2.0680	1.2891		2.0798	2.0523	2.0801	1.4472
H7	4.7639	3.8448	2.7416	4.0441	3.1053	2.0798		1.7830	1.7779	1.0872
H8	5.1112	4.0503	3.2751	3.7185	2.4759	2.0523	1.7830		1.7830	1.0847
H9	4.7656	3.8459	2.7443	4.0429	3.1030	2.0801	1.7779	1.7830		1.0873
C10	4.4345	3.4315	2.4256	3.4595	2.4065	1.4472	1.0872	1.0847	1.0873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.981	H1	C2	N4	124.100
C2	N3	N6	101.644	C2	N4	N5	105.624
N3	C2	N4	111.919	N3	N6	N5	113.542
N3	N6	C10	123.401	N4	N5	N6	107.271
N5	N6	C10	123.057	N6	C10	H7	109.473
N6	C10	H8	107.440	N6	C10	H9	109.491
H7	C10	H8	110.357	H7	C10	H9	109.693
H8	C10	H9	110.351

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

using model chemistry: HF/cc-pVDZ

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	0.062	0.035
2	C	0.243	0.545
3	N	-0.225	-0.654
4	N	-0.265	-0.417
5	N	-0.020	-0.253
6	N	-0.173	0.696
7	H	0.068	0.143
8	H	0.070	0.103
9	H	0.068	0.142
10	C	0.172	-0.340

	x	y	z	Total
	-2.505	-1.430	0.000	2.885
CHELPG
AIM
ESP

	x	y	z
x	8.036	-0.123	-0.000
y	-0.123	6.003	0.000
z	-0.000	0.000	3.720

<r²>	121.376
(<r²>)^1/2	11.017

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

using model chemistry: HF/cc-pVDZ

States and conformations

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