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	hartrees
Energy at 0K	-225.852556
Energy at 298.15K
HF Energy	-224.807489
Nuclear repulsion energy	166.742571

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.203
N2	0.000	0.997	0.283
N3	0.000	-0.997	0.283
C4	0.000	0.726	-0.948
C5	0.000	-0.726	-0.948
H6	-0.896	0.000	1.824
H7	0.896	0.000	1.824
H8	0.000	1.472	-1.725
H9	0.000	-1.472	-1.725

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3567	1.3567	2.2702	2.2702	1.0900	1.0900	3.2770	3.2770
N2	1.3567		1.9936	1.2602	2.1172	2.0426	2.0426	2.0630	3.1821
N3	1.3567	1.9936		2.1172	1.2602	2.0426	2.0426	3.1821	2.0630
C4	2.2702	1.2602	2.1172		1.4518	3.0024	3.0024	1.0771	2.3312
C5	2.2702	2.1172	1.2602	1.4518		3.0024	3.0024	2.3312	1.0771
H6	1.0900	2.0426	2.0426	3.0024	3.0024		1.7912	3.9452	3.9452
H7	1.0900	2.0426	2.0426	3.0024	3.0024	1.7912		3.9452	3.9452
H8	3.2770	2.0630	3.1821	1.0771	2.3312	3.9452	3.9452		2.9443
H9	3.2770	3.1821	2.0630	2.3312	1.0771	3.9452	3.9452	2.9443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.299	C1	N3	C5	120.299
N2	C1	N3	94.574	N2	C1	H6	112.746
N2	C1	H7	112.746	N2	C4	C5	102.414
N2	C4	H8	123.733	N3	C1	H6	112.746
N3	C1	H7	112.746	N3	C5	C4	102.414
N3	C5	H9	123.733	C4	C5	H9	133.853
C5	C4	H8	133.853	H6	C1	H7	110.501

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)

using model chemistry: MP4=FULL/aug-cc-pVTZ

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 C3H4N2 (2H-Imidazole)

using model chemistry: MP4=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)