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	hartrees
Energy at 0K	-296.740360
Energy at 298.15K
HF Energy	-295.792811
Nuclear repulsion energy	230.883326

Atom	x (Å)	y (Å)	z (Å)
C1	-1.086	-0.228	0.000
N2	0.000	0.570	0.000
N3	1.089	-0.218	0.000
N4	0.667	-1.436	0.000
N5	-0.692	-1.483	0.000
H6	-2.100	0.126	0.000
C7	0.121	2.016	0.000
H8	-0.877	2.442	0.000
H9	0.656	2.337	0.888
H10	0.656	2.337	-0.888

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3475	2.1749	2.1291	1.3152	1.0740	2.5474	2.6782	3.2251	3.2251
N2	1.3475		1.3446	2.1140	2.1661	2.1464	1.4506	2.0674	2.0834	2.0834
N3	2.1749	1.3446		1.2883	2.1839	3.2075	2.4349	3.3083	2.7395	2.7395
N4	2.1291	2.1140	1.2883		1.3600	3.1775	3.4945	4.1743	3.8757	3.8757
N5	1.3152	2.1661	2.1839	1.3600		2.1376	3.5913	3.9292	4.1465	4.1465
H6	1.0740	2.1464	3.2075	3.1775	2.1376		2.9161	2.6196	3.6435	3.6435
C7	2.5474	1.4506	2.4349	3.4945	3.5913	2.9161		1.0852	1.0855	1.0855
H8	2.6782	2.0674	3.3083	4.1743	3.9292	2.6196	1.0852		1.7751	1.7751
H9	3.2251	2.0834	2.7395	3.8757	4.1465	3.6435	1.0855	1.7751		1.7758
H10	3.2251	2.0834	2.7395	3.8757	4.1465	3.6435	1.0855	1.7751	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.781	C1	N2	C7	131.091
C1	N5	N4	105.465	N2	C1	N5	108.877
N2	C1	H6	124.473	N2	N3	N4	106.802
N2	C7	H8	108.369	N2	C7	H9	109.628
N2	C7	H10	109.628	N3	N2	C7	121.129
N3	N4	N5	111.075	N5	C1	H6	126.650
H8	C7	H9	109.719	H8	C7	H10	109.719
H9	C7	H10	109.757

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

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

States and conformations

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