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	hartrees
Energy at 0K	-225.646055
Energy at 298.15K	-225.651580
HF Energy	-224.884269
Nuclear repulsion energy	163.225142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3684	3492	76.16
2	A'	3331	3157	0.63
3	A'	3307	3134	0.60
4	A'	3304	3131	3.31
5	A'	1548	1468	7.18
6	A'	1513	1434	21.18
7	A'	1466	1389	19.17
8	A'	1377	1306	8.08
9	A'	1293	1226	1.11
10	A'	1183	1121	4.12
11	A'	1162	1102	4.07
12	A'	1113	1055	25.69
13	A'	1092	1035	27.83
14	A'	943	893	2.08
15	A'	906	859	5.63
16	A"	747	708	80.22
17	A"	702	666	16.12
18	A"	663	629	3.97
19	A"	634	601	0.98
20	A"	546	518	45.23
21	A"	259	246	48.93

Atom	x (Å)	y (Å)
N1	0.000	1.103
C2	-1.089	0.282
C3	1.117	0.304
N4	-0.740	-0.991
C5	0.635	-0.982
H6	-0.012	2.111
H7	-2.098	0.661
H8	2.114	0.709
H9	1.199	-1.899

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3640	1.3735	2.2210	2.1802	1.0077	2.1439	2.1504	3.2333
C2	1.3640		2.2065	1.3201	2.1382	2.1221	1.0772	3.2314	3.1619
C3	1.3735	2.2065		2.2641	1.3742	2.1307	3.2346	1.0757	2.2051
N4	2.2210	1.3201	2.2641		1.3747	3.1858	2.1381	3.3216	2.1416
C5	2.1802	2.1382	1.3742	1.3747		3.1604	3.1886	2.2468	1.0768
H6	1.0077	2.1221	2.1307	3.1858	3.1604		2.5399	2.5470	4.1893
H7	2.1439	1.0772	3.2346	2.1381	3.1886	2.5399		4.2119	4.1744
H8	2.1504	3.2314	1.0757	3.3216	2.2468	2.5470	4.2119		2.7637
H9	3.2333	3.1619	2.2051	2.1416	1.0768	4.1893	4.1744	2.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.666	N1	C2	H7	122.417
N1	C3	C5	105.023	N1	C3	H8	122.342
C2	N1	C3	107.419	C2	N1	H6	126.301
C2	N4	C5	104.997	C3	N1	H6	126.280
C3	C5	N4	110.896	C3	C5	H9	127.820
N4	C2	H7	125.917	N4	C5	H9	121.284
C5	C3	H8	132.635

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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