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	hartrees
Energy at 0K	-225.206941
Energy at 298.15K	-225.212901
HF Energy	-224.705113
Nuclear repulsion energy	160.917383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3727	3727	64.30
2	A'	3319	3319	2.41
3	A'	3304	3304	3.18
4	A'	3294	3294	1.68
5	A'	1582	1582	19.76
6	A'	1513	1513	13.59
7	A'	1473	1473	26.48
8	A'	1372	1372	10.48
9	A'	1296	1296	2.72
10	A'	1186	1186	0.66
11	A'	1133	1133	9.30
12	A'	1118	1118	19.51
13	A'	1077	1077	31.19
14	A'	962	962	2.77
15	A'	931	931	7.45
16	A"	811	811	16.48
17	A"	776	776	38.31
18	A"	695	695	25.70
19	A"	668	668	9.34
20	A"	637	637	70.94
21	A"	592	592	109.74

Atom	x (Å)	y (Å)
N1	0.000	1.117
C2	-1.117	0.297
C3	1.138	0.295
N4	-0.754	-0.985
C5	0.655	-1.005
H6	-0.005	2.123
H7	-2.133	0.674
H8	2.145	0.693
H9	1.212	-1.933

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3862	1.4039	2.2333	2.2212	1.0063	2.1783	2.1864	3.2820
C2	1.3862		2.2557	1.3324	2.1991	2.1389	1.0834	3.2862	3.2242
C3	1.4039	2.2557		2.2846	1.3876	2.1560	3.2930	1.0821	2.2297
N4	2.2333	1.3324	2.2846		1.4087	3.1976	2.1576	3.3491	2.1818
C5	2.2212	2.1991	1.3876	1.4087		3.1975	3.2546	2.2590	1.0819
H6	1.0063	2.1389	2.1560	3.1976	3.1975		2.5747	2.5822	4.2349
H7	2.1783	1.0834	3.2930	2.1576	3.2546	2.5747		4.2777	4.2405
H8	2.1864	3.2862	1.0821	3.3491	2.2590	2.5822	4.2777		2.7868
H9	3.2820	3.2242	2.2297	2.1818	1.0819	4.2349	4.2405	2.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	110.449	N1	C2	H7	123.319
N1	C3	C5	105.439	N1	C3	H8	122.634
C2	N1	C3	107.886	C2	N1	H6	126.017
C2	N4	C5	106.658	C3	N1	H6	126.097
C3	C5	N4	109.569	C3	C5	H9	128.656
N4	C2	H7	126.232	N4	C5	H9	121.775
C5	C3	H8	131.928

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)

using model chemistry: MP3=FULL/6-31G

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 (1H-Imidazole)

using model chemistry: MP3=FULL/6-31G

States and conformations

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)