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	hartrees
Energy at 0K	-225.686843
Energy at 298.15K	-225.692803
HF Energy	-224.774363
Nuclear repulsion energy	165.992369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3245	3121
2	A₁	3093	2974
3	A₁	1677	1613
4	A₁	1437	1382
5	A₁	1390	1337
6	A₁	1256	1207
7	A₁	1031	991
8	A₁	917	881
9	A₂	1151	1107
10	A₂	876	842
11	A₂	529	508
12	B₁	3143	3022
13	B₁	1021	981
14	B₁	812	780
15	B₁	341	328
16	B₂	3231	3107
17	B₂	1730	1663
18	B₂	1396	1342
19	B₂	1239	1191
20	B₂	1086	1044
21	B₂	930	894

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.210
N2	0.000	0.997	0.284
N3	0.000	-0.997	0.284
C4	0.000	0.732	-0.953
C5	0.000	-0.732	-0.953
H6	-0.900	0.000	1.834
H7	0.900	0.000	1.834
H8	0.000	1.487	-1.733
H9	0.000	-1.487	-1.733

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3612	1.3612	2.2838	2.2838	1.0955	1.0955	3.2969	3.2969
N2	1.3612		1.9946	1.2651	2.1261	2.0517	2.0517	2.0749	3.1993
N3	1.3612	1.9946		2.1261	1.2651	2.0517	2.0517	3.1993	2.0749
C4	2.2838	1.2651	2.1261		1.4639	3.0195	3.0195	1.0849	2.3515
C5	2.2838	2.1261	1.2651	1.4639		3.0195	3.0195	2.3515	1.0849
H6	1.0955	2.0517	2.0517	3.0195	3.0195		1.8003	3.9679	3.9679
H7	1.0955	2.0517	2.0517	3.0195	3.0195	1.8003		3.9679	3.9679
H8	3.2969	2.0749	3.1993	1.0849	2.3515	3.9679	3.9679		2.9732
H9	3.2969	3.1993	2.0749	2.3515	1.0849	3.9679	3.9679	2.9732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.783	C1	N3	C5	120.783
N2	C1	N3	94.220	N2	C1	H6	112.822
N2	C1	H7	112.822	N2	C4	C5	102.107
N2	C4	H8	123.817	N3	C1	H6	112.822
N3	C1	H7	112.822	N3	C5	C4	102.107
N3	C5	H9	123.817	C4	C5	H9	134.076
C5	C4	H8	134.076	H6	C1	H7	110.513

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

using model chemistry: MP4=FULL/6-311G**

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/6-311G**

States and conformations

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