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	hartrees
Energy at 0K	-264.768158
Energy at 298.15K
HF Energy	-263.869117
Nuclear repulsion energy	225.083171

Atom	x (Å)	y (Å)	z (Å)
C1	2.110	-0.023	0.000
H2	2.493	0.489	0.883
H3	2.484	-1.042	-0.001
H4	2.493	0.491	-0.882
N5	-0.163	1.053	0.000
H6	0.164	2.001	-0.001
C7	0.615	-0.074	-0.000
N8	-0.117	-1.164	-0.000
C9	-1.430	-0.726	0.000
H10	-2.252	-1.419	0.000
C11	-1.483	0.642	-0.000
H12	-2.300	1.339	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0901	1.0850	1.0901	2.5151	2.8082	1.4958	2.5027	3.6100	4.5804	3.6542	4.6162
H2	1.0901		1.7676	1.7649	2.8552	2.9146	2.1499	3.2132	4.2011	5.1900	4.0756	4.9476
H3	1.0850	1.7676		1.7676	3.3756	3.8265	2.1047	2.6044	3.9276	4.7513	4.3097	5.3441
H4	1.0901	1.7649	1.7676		2.8545	2.9123	2.1499	3.2140	4.2015	5.1907	4.0753	4.9472
N5	2.5151	2.8552	3.3756	2.8545		1.0026	1.3693	2.2172	2.1840	3.2368	1.3822	2.1565
H6	2.8082	2.9146	3.8265	2.9123	1.0026		2.1231	3.1771	3.1583	4.1873	2.1344	2.5514
C7	1.4958	2.1499	2.1047	2.1499	1.3693	2.1231		1.3135	2.1473	3.1675	2.2170	3.2399
N8	2.5027	3.2132	2.6044	3.2140	2.2172	3.1771	1.3135		1.3845	2.1499	2.2643	3.3210
C9	3.6100	4.2011	3.9276	4.2015	2.1840	3.1583	2.1473	1.3845		1.0753	1.3689	2.2401
H10	4.5804	5.1900	4.7513	5.1907	3.2368	4.1873	3.1675	2.1499	1.0753		2.2007	2.7587
C11	3.6542	4.0756	4.3097	4.0753	1.3822	2.1344	2.2170	2.2643	1.3689	2.2007		1.0740
H12	4.6162	4.9476	5.3441	4.9472	2.1565	2.5514	3.2399	3.3210	2.2401	2.7587	1.0740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.701	C1	C7	N8	125.842
H2	C1	H3	108.708	H2	C1	H4	108.097
H2	C1	C7	111.518	H3	C1	H4	108.708
H3	C1	C7	108.219	H4	C1	C7	111.519
N5	C7	N8	111.457	N5	C11	C9	105.094
N5	C11	H12	122.301	H6	N5	C7	126.355
H6	N5	C11	126.284	C7	N5	C11	107.361
C7	N8	C9	105.449	N8	C9	H10	121.350
N8	C9	C11	110.639	C9	C11	H12	132.605
H10	C9	C11	128.011

All results from a given calculation for C₄H₆N₂ (1H-Imidazole, 2-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 C4H6N2 (1H-Imidazole, 2-methyl-)

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

States and conformations

All results from a given calculation for C₄H₆N₂ (1H-Imidazole, 2-methyl-)