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	hartrees
Energy at 0K	-296.762701
Energy at 298.15K
HF Energy	-295.806923
Nuclear repulsion energy	227.635751

Atom	x (Å)	y (Å)	z (Å)
N1	-1.151	-0.057	0.000
C2	0.000	0.602	0.000
C3	0.185	2.079	0.000
H4	0.731	2.406	0.885
H5	0.731	2.406	-0.885
H6	-0.796	2.545	0.000
N7	0.996	-0.319	0.000
N8	0.451	-1.557	0.000
N9	-0.835	-1.387	0.000
H10	1.999	-0.206	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3263	2.5200	3.2237	3.2237	2.6260	2.1629	2.1944	1.3666	3.1536
C2	1.3263		1.4891	2.1384	2.1384	2.0998	1.3564	2.2054	2.1568	2.1561
C3	2.5200	1.4891		1.0897	1.0897	1.0863	2.5317	3.6460	3.6132	2.9177
H4	3.2237	2.1384	1.0897		1.7697	1.7704	2.8775	4.0703	4.1978	3.0357
H5	3.2237	2.1384	1.0897	1.7697		1.7704	2.8775	4.0703	4.1978	3.0357
H6	2.6260	2.0998	1.0863	1.7704	1.7704		3.3784	4.2872	3.9317	3.9219
N7	2.1629	1.3564	2.5317	2.8775	2.8775	3.3784		1.3525	2.1196	1.0094
N8	2.1944	2.2054	3.6460	4.0703	4.0703	4.2872	1.3525		1.2973	2.0545
N9	1.3666	2.1568	3.6132	4.1978	4.1978	3.9317	2.1196	1.2973		3.0702
H10	3.1536	2.1561	2.9177	3.0357	3.0357	3.9219	1.0094	2.0545	3.0702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.939	N1	C2	N7	107.448
N1	N9	N8	110.904	C2	N1	N9	106.427
C2	C3	H4	111.094	C2	C3	H5	111.094
C2	C3	H6	108.222	C2	N7	N8	108.998
C2	N7	H10	130.818	C3	C2	N7	125.612
H4	C3	H5	108.588	H4	C3	H6	108.896
H5	C3	H6	108.896	N7	N8	N9	106.222
N8	N7	H10	120.184

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

using model chemistry: MP2/6-31+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: MP2/6-31+G**

States and conformations

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