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	hartrees
Energy at 0K	-225.858550
Energy at 298.15K	-225.864537
HF Energy	-224.802634
Nuclear repulsion energy	166.555998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3246	3246
2	A₁	3084	3084
3	A₁	1662	1662
4	A₁	1424	1424
5	A₁	1391	1391
6	A₁	1251	1251
7	A₁	1034	1034
8	A₁	923	923
9	A₂	1156	1156
10	A₂	901	901
11	A₂	536	536
12	B₁	3132	3132
13	B₁	1010	1010
14	B₁	816	816
15	B₁	353	353
16	B₂	3233	3233
17	B₂	1724	1724
18	B₂	1391	1391
19	B₂	1246	1246
20	B₂	1084	1084
21	B₂	929	929

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.205
N2	0.000	0.997	0.283
N3	0.000	-0.997	0.283
C4	0.000	0.727	-0.949
C5	0.000	-0.727	-0.949
H6	-0.895	0.000	1.830
H7	0.895	0.000	1.830
H8	0.000	1.475	-1.728
H9	0.000	-1.475	-1.728

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3576	1.3576	2.2733	2.2733	1.0914	1.0914	3.2828	3.2828
N2	1.3576		1.9938	1.2617	2.1189	2.0460	2.0460	2.0671	3.1869
N3	1.3576	1.9938		2.1189	1.2617	2.0460	2.0460	3.1869	2.0671
C4	2.2733	1.2617	2.1189		1.4535	3.0086	3.0086	1.0801	2.3357
C5	2.2733	2.1189	1.2617	1.4535		3.0086	3.0086	2.3357	1.0801
H6	1.0914	2.0460	2.0460	3.0086	3.0086		1.7893	3.9539	3.9539
H7	1.0914	2.0460	2.0460	3.0086	3.0086	1.7893		3.9539	3.9539
H8	3.2828	2.0671	3.1869	1.0801	2.3357	3.9539	3.9539		2.9507
H9	3.2828	3.1869	2.0671	2.3357	1.0801	3.9539	3.9539	2.9507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.386	C1	N3	C5	120.386
N2	C1	N3	94.498	N2	C1	H6	112.879
N2	C1	H7	112.879	N2	C4	C5	102.365
N2	C4	H8	123.759	N3	C1	H6	112.879
N3	C1	H7	112.879	N3	C5	C4	102.365
N3	C5	H9	123.759	C4	C5	H9	133.877
C5	C4	H8	133.877	H6	C1	H7	110.117

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

using model chemistry: MP4=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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