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	hartrees
Energy at 0K	-296.751735
Energy at 298.15K
HF Energy	-295.804846
Nuclear repulsion energy	229.016467

Atom	x (Å)	y (Å)	z (Å)
N1	-1.145	-0.051	0.000
C2	0.000	0.597	0.000
C3	0.190	2.075	0.000
H4	0.738	2.399	0.883
H5	0.738	2.399	-0.883
H6	-0.788	2.545	0.000
N7	0.991	-0.324	0.000
N8	0.440	-1.555	0.000
N9	-0.831	-1.379	0.000
H10	1.988	-0.214	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3153	2.5107	3.2135	3.2135	2.6201	2.1528	2.1847	1.3645	3.1368
C2	1.3153		1.4908	2.1384	2.1384	2.1011	1.3523	2.1960	2.1434	2.1466
C3	2.5107	1.4908		1.0885	1.0885	1.0848	2.5290	3.6386	3.6021	2.9102
H4	3.2135	2.1384	1.0885		1.7669	1.7688	2.8736	4.0621	4.1850	3.0278
H5	3.2135	2.1384	1.0885	1.7669		1.7688	2.8736	4.0621	4.1850	3.0278
H6	2.6201	2.1011	1.0848	1.7688	1.7688		3.3749	4.2793	3.9238	3.9128
N7	2.1528	1.3523	2.5290	2.8736	2.8736	3.3749		1.3485	2.1053	1.0032
N8	2.1847	2.1960	3.6386	4.0621	4.0621	4.2793	1.3485		1.2834	2.0480
N9	1.3645	2.1434	3.6021	4.1850	4.1850	3.9238	2.1053	1.2834		3.0504
H10	3.1368	2.1466	2.9102	3.0278	3.0278	3.9128	1.0032	2.0480	3.0504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.838	N1	C2	N7	107.600
N1	N9	N8	111.161	C2	N1	N9	106.215
C2	C3	H4	111.045	C2	C3	H5	111.045
C2	C3	H6	108.300	C2	N7	N8	108.803
C2	N7	H10	130.788	C3	C2	N7	125.562
H4	C3	H5	108.501	H4	C3	H6	108.953
H5	C3	H6	108.953	N7	N8	N9	106.222
N8	N7	H10	120.409

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

using model chemistry: MP3/6-31+G**

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

using model chemistry: MP3/6-31+G**

States and conformations

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