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	hartrees
Energy at 0K	-225.599925
Energy at 298.15K	-225.605881
HF Energy	-224.844122
Nuclear repulsion energy	161.832044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3663	3513	70.91
2	A'	3314	3179	0.69
3	A'	3296	3161	0.73
4	A'	3288	3153	2.14
5	A'	1524	1462	4.21
6	A'	1490	1429	24.73
7	A'	1460	1400	13.94
8	A'	1362	1306	5.78
9	A'	1260	1208	0.57
10	A'	1176	1128	3.13
11	A'	1139	1092	3.22
12	A'	1095	1050	24.98
13	A'	1073	1029	25.41
14	A'	927	889	1.72
15	A'	887	850	5.76
16	A"	836	802	11.43
17	A"	781	749	54.61
18	A"	713	683	28.55
19	A"	675	647	0.08
20	A"	641	614	22.35
21	A"	551	529	73.64

Atom	x (Å)	y (Å)
N1	0.000	1.110
C2	-1.100	0.287
C3	1.127	0.311
N4	-0.745	-1.000
C5	0.639	-0.993
H6	-0.013	2.123
H7	-2.117	0.671
H8	2.133	0.721
H9	1.212	-1.918

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3732	1.3816	2.2372	2.1982	1.0131	2.1623	2.1684	3.2615
C2	1.3732		2.2264	1.3351	2.1593	2.1331	1.0874	3.2616	3.1950
C3	1.3816	2.2264		2.2843	1.3919	2.1412	3.2638	1.0869	2.2299
N4	2.2372	1.3351	2.2843		1.3836	3.2072	2.1618	3.3528	2.1617
C5	2.1982	2.1593	1.3919	1.3836		3.1838	3.2194	2.2738	1.0879
H6	1.0131	2.1331	2.1412	3.2072	3.1838		2.5568	2.5637	4.2226
H7	2.1623	1.0874	3.2638	2.1618	3.2194	2.5568		4.2507	4.2173
H8	2.1684	3.2616	1.0869	3.3528	2.2738	2.5637	4.2507		2.7946
H9	3.2615	3.1950	2.2299	2.1617	1.0879	4.2226	4.2173	2.7946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.384	N1	C2	H7	122.566
N1	C3	C5	104.853	N1	C3	H8	122.458
C2	N1	C3	107.834	C2	N1	H6	126.066
C2	N4	C5	105.153	C3	N1	H6	126.100
C3	C5	N4	110.776	C3	C5	H9	127.688
N4	C2	H7	126.050	N4	C5	H9	121.537
C5	C3	H8	132.688

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

using model chemistry: MP2/aug-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 (1H-Imidazole)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

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