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	hartrees
Energy at 0K	-225.198090
Energy at 298.15K	-225.203978
HF Energy	-224.702605
Nuclear repulsion energy	160.217262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3677	3494	63.14
2	A'	3323	3158	1.61
3	A'	3309	3144	2.92
4	A'	3297	3133	1.27
5	A'	1537	1461	20.50
6	A'	1473	1400	9.28
7	A'	1431	1360	19.52
8	A'	1342	1275	10.33
9	A'	1266	1203	6.05
10	A'	1174	1115	0.65
11	A'	1115	1060	14.45
12	A'	1107	1052	15.33
13	A'	1057	1004	22.67
14	A'	945	898	3.60
15	A'	910	865	7.06
16	A"	793	753	29.88
17	A"	739	702	47.16
18	A"	672	638	5.92
19	A"	658	625	8.14
20	A"	631	600	81.75
21	A"	577	548	89.04

Atom	x (Å)	y (Å)
N1	0.000	1.123
C2	-1.118	0.294
C3	1.139	0.305
N4	-0.757	-1.007
C5	0.658	-0.999
H6	-0.005	2.134
H7	-2.133	0.667
H8	2.142	0.710
H9	1.217	-1.925

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3916	1.4020	2.2604	2.2222	1.0108	2.1808	2.1816	3.2816
C2	1.3916		2.2564	1.3501	2.1967	2.1503	1.0813	3.2862	3.2205
C3	1.4020	2.2564		2.3053	1.3905	2.1567	3.2913	1.0820	2.2312
N4	2.2604	1.3501	2.3053		1.4145	3.2295	2.1668	3.3691	2.1764
C5	2.2222	2.1967	1.3905	1.4145		3.2026	3.2501	2.2640	1.0809
H6	1.0108	2.1503	2.1567	3.2295	3.2026		2.5846	2.5760	4.2383
H7	2.1808	1.0813	3.2913	2.1668	3.2501	2.5846		4.2749	4.2349
H8	2.1816	3.2862	1.0820	3.3691	2.2640	2.5760	4.2749		2.7925
H9	3.2816	3.2205	2.2312	2.1764	1.0809	4.2383	4.2349	2.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.058	N1	C2	H7	123.257
N1	C3	C5	105.452	N1	C3	H8	122.342
C2	N1	C3	107.746	C2	N1	H6	126.302
C2	N4	C5	105.209	C3	N1	H6	125.952
C3	C5	N4	110.535	C3	C5	H9	128.626
N4	C2	H7	125.685	N4	C5	H9	120.839
C5	C3	H8	132.207

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

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

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