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	hartrees
Energy at 0K	-38.511439
Energy at 298.15K	-38.517168
HF Energy	-38.026408
Nuclear repulsion energy	82.463924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3632	3545	49.76
2	A'	3251	3173	4.26
3	A'	3236	3158	4.75
4	A'	3225	3147	1.85
5	A'	1505	1468	18.45
6	A'	1437	1402	9.60
7	A'	1395	1362	17.09
8	A'	1312	1281	8.36
9	A'	1233	1204	4.63
10	A'	1154	1127	0.62
11	A'	1090	1064	13.30
12	A'	1080	1054	16.63
13	A'	1032	1008	33.11
14	A'	926	904	5.08
15	A'	885	864	6.49
16	A"	726	709	120.28
17	A"	686	670	15.59
18	A"	650	635	0.68
19	A"	618	604	0.40
20	A"	581	567	116.85
21	A"	501	489	8.60

Atom	x (Å)	y (Å)
N1	0.000	1.131
C2	-1.127	0.300
C3	1.150	0.302
N4	-0.761	-1.000
C5	0.660	-1.018
H6	-0.002	2.142
H7	-2.143	0.681
H8	2.156	0.703
H9	1.218	-1.947

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.4003	1.4174	2.2624	2.2477	1.0119	2.1900	2.1984	3.3098
C2	1.4003		2.2775	1.3506	2.2210	2.1588	1.0848	3.3084	3.2478
C3	1.4174	2.2775		2.3126	1.4079	2.1714	3.3151	1.0831	2.2503
N4	2.2624	1.3506	2.3126		1.4215	3.2327	2.1760	3.3780	2.1935
C5	2.2477	2.2210	1.4079	1.4215		3.2291	3.2780	2.2801	1.0835
H6	1.0119	2.1588	2.1714	3.2327	3.2291		2.5925	2.5948	4.2677
H7	2.1900	1.0848	3.3151	2.1760	3.2780	2.5925		4.2997	4.2661
H8	2.1984	3.3084	1.0831	3.3780	2.2801	2.5948	4.2997		2.8113
H9	3.3098	3.2478	2.2503	2.1935	1.0835	4.2677	4.2661	2.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	110.642	N1	C2	H7	123.086
N1	C3	C5	105.410	N1	C3	H8	122.525
C2	N1	C3	107.853	C2	N1	H6	126.246
C2	N4	C5	106.460	C3	N1	H6	125.901
C3	C5	N4	109.636	C3	C5	H9	128.700
N4	C2	H7	126.273	N4	C5	H9	121.664
C5	C3	H8	132.065

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

using model chemistry: MP2/CEP-121G

States and conformations

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