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	hartrees
Energy at 0K	-225.600884
Energy at 298.15K	-225.606778
HF Energy	-224.845479
Nuclear repulsion energy	160.263417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3092	10.67
2	A'	3233	3072	6.32
3	A'	3090	2937	0.80
4	A'	1613	1533	21.97
5	A'	1531	1455	3.75
6	A'	1419	1348	20.17
7	A'	1326	1260	19.55
8	A'	1308	1243	5.84
9	A'	1267	1204	6.75
10	A'	1050	998	50.37
11	A'	1015	965	7.84
12	A'	960	912	2.38
13	A'	876	832	12.11
14	A'	872	829	5.02
15	A"	3142	2985	0.71
16	A"	1161	1103	0.51
17	A"	998	948	17.64
18	A"	945	898	0.34
19	A"	749	712	7.48
20	A"	556	529	18.43
21	A"	346	329	6.64

Atom	x (Å)	y (Å)	z (Å)
N1	-1.206	0.362	0.000
C2	0.000	1.135	0.000
N3	1.126	0.503	0.000
C4	0.732	-0.902	0.000
C5	-0.766	-0.857	0.000
H6	-0.071	2.217	0.000
H7	1.137	-1.406	0.885
H8	1.137	-1.406	-0.885
H9	-1.438	-1.711	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4323	2.3355	2.3136	1.2957	2.1747	3.0660	3.0660	2.0855
C2	1.4323		1.2912	2.1651	2.1345	1.0846	2.9218	2.9218	3.1884
N3	2.3355	1.2912		1.4591	2.3297	2.0913	2.1043	2.1043	3.3866
C4	2.3136	2.1651	1.4591		1.4988	3.2216	1.0965	1.0965	2.3153
C5	1.2957	2.1345	2.3297	1.4988		3.1519	2.1702	2.1702	1.0861
H6	2.1747	1.0846	2.0913	3.2216	3.1519		3.9213	3.9213	4.1588
H7	3.0660	2.9218	2.1043	1.0965	2.1702	3.9213		1.7709	2.7402
H8	3.0660	2.9218	2.1043	1.0965	2.1702	3.9213	1.7709		2.7402
H9	2.0855	3.1884	3.3866	2.3153	1.0861	4.1588	2.7402	2.7402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.990	N1	C2	H6	118.898
N1	C5	C4	111.559	N1	C5	H9	121.981
C2	N1	C5	102.850	C2	N3	C4	103.682
N3	C2	H6	123.112	N3	C4	C5	103.919
N3	C4	H7	110.040	N3	C4	H8	110.040
C4	C5	H9	126.460	C5	C4	H7	112.555
C5	C4	H8	112.555	H7	C4	H8	107.709

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)

using model chemistry: MP2/6-311G**

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 (4H-Imidazole)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)