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	hartrees
Energy at 0K	-38.481620
Energy at 298.15K	-38.487419
HF Energy	-37.990956
Nuclear repulsion energy	80.810169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3149	8.25
2	A'	3191	3115	7.95
3	A'	3019	2947	2.33
4	A'	1479	1444	11.37
5	A'	1458	1423	18.93
6	A'	1397	1363	3.44
7	A'	1284	1253	11.55
8	A'	1272	1241	5.93
9	A'	1263	1233	12.05
10	A'	960	937	36.82
11	A'	931	908	6.06
12	A'	908	887	1.10
13	A'	825	805	16.78
14	A'	806	787	3.92
15	A"	3090	3016	4.30
16	A"	1118	1091	0.03
17	A"	1008	984	22.31
18	A"	876	855	0.82
19	A"	747	729	18.67
20	A"	541	528	19.38
21	A"	358	350	8.06

Atom	x (Å)	y (Å)	z (Å)
N1	1.174	0.547	0.000
C2	0.785	-0.894	0.000
N3	-0.520	-1.155	0.000
C4	-1.191	0.211	0.000
C5	0.000	1.189	0.000
H6	1.562	-1.654	0.000
H7	-1.825	0.298	0.898
H8	-1.825	0.298	-0.898
H9	-0.050	2.277	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4926	2.4013	2.3886	1.3376	2.2349	3.1402	3.1402	2.1191
C2	1.4926		1.3303	2.2639	2.2256	1.0869	3.0062	3.0062	3.2793
N3	2.4013	1.3303		1.5228	2.4011	2.1403	2.1500	2.1500	3.4649
C4	2.3886	2.2639	1.5228		1.5410	3.3253	1.1025	1.1025	2.3605
C5	1.3376	2.2256	2.4011	1.5410		3.2434	2.2206	2.2206	1.0897
H6	2.2349	1.0869	2.1403	3.3253	3.2434		4.0108	4.0108	4.2487
H7	3.1402	3.0062	2.1500	1.1025	2.2206	4.0108		1.7957	2.8066
H8	3.1402	3.0062	2.1500	1.1025	2.2206	4.0108	1.7957		2.8066
H9	2.1191	3.2793	3.4649	2.3605	1.0897	4.2487	2.8066	2.8066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	116.443	N1	C2	H6	119.249
N1	C5	C4	111.959	N1	C5	H9	121.286
C2	N1	C5	103.561	C2	N3	C4	104.831
N3	C2	H6	124.308	N3	C4	C5	103.206
N3	C4	H7	108.907	N3	C4	H8	108.907
C4	C5	H9	126.756	C5	C4	H7	113.247
C5	C4	H8	113.247	H7	C4	H8	109.051

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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