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	hartrees
Energy at 0K	-225.510311
Energy at 298.15K	-225.516259
HF Energy	-224.738572
Nuclear repulsion energy	165.322288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3248	3141
2	A₁	3093	2991
3	A₁	1691	1635
4	A₁	1424	1377
5	A₁	1386	1340
6	A₁	1264	1222
7	A₁	1029	995
8	A₁	910	879
9	A₂	1142	1105
10	A₂	879	850
11	A₂	527	510
12	B₁	3150	3046
13	B₁	1007	974
14	B₁	807	780
15	B₁	338	327
16	B₂	3233	3126
17	B₂	1743	1686
18	B₂	1402	1355
19	B₂	1230	1189
20	B₂	1083	1047
21	B₂	927	896

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.215
N2	0.000	0.998	0.286
N3	0.000	-0.998	0.286
C4	0.000	0.735	-0.958
C5	0.000	-0.735	-0.958
H6	-0.905	0.000	1.848
H7	0.905	0.000	1.848
H8	0.000	1.501	-1.741
H9	0.000	-1.501	-1.741

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3634	1.3634	2.2945	2.2945	1.1038	1.1038	3.3153	3.3153
N2	1.3634		1.9950	1.2713	2.1332	2.0623	2.0623	2.0883	3.2170
N3	1.3634	1.9950		2.1332	1.2713	2.0623	2.0623	3.2170	2.0883
C4	2.2945	1.2713	2.1332		1.4709	3.0386	3.0386	1.0947	2.3692
C5	2.2945	2.1332	1.2713	1.4709		3.0386	3.0386	2.3692	1.0947
H6	1.1038	2.0623	2.0623	3.0386	3.0386		1.8091	3.9937	3.9937
H7	1.1038	2.0623	2.0623	3.0386	3.0386	1.8091		3.9937	3.9937
H8	3.3153	2.0883	3.2170	1.0947	2.3692	3.9937	3.9937		3.0014
H9	3.3153	3.2170	2.0883	2.3692	1.0947	3.9937	3.9937	3.0014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.081	C1	N3	C5	121.081
N2	C1	N3	94.046	N2	C1	H6	112.998
N2	C1	H7	112.998	N2	C4	C5	101.896
N2	C4	H8	123.752	N3	C1	H6	112.998
N3	C1	H7	112.998	N3	C5	C4	101.896
N3	C5	H9	123.752	C4	C5	H9	134.352
C5	C4	H8	134.352	H6	C1	H7	110.062

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

using model chemistry: MP4/cc-pVDZ

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/cc-pVDZ

States and conformations

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