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	hartrees
Energy at 0K	-225.692964
Energy at 298.15K	-225.698887
HF Energy	-224.857120
Nuclear repulsion energy	163.019526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3505	63.57
2	A'	3312	3137	1.46
3	A'	3290	3116	1.09
4	A'	3285	3111	4.35
5	A'	1553	1471	10.39
6	A'	1521	1440	18.22
7	A'	1486	1407	15.80
8	A'	1383	1310	8.34
9	A'	1285	1217	0.95
10	A'	1198	1135	3.44
11	A'	1167	1105	2.38
12	A'	1116	1057	31.86
13	A'	1095	1037	24.32
14	A'	944	894	2.43
15	A'	905	857	7.28
16	A"	811	769	21.96
17	A"	775	734	50.46
18	A"	686	650	9.56
19	A"	682	646	15.40
20	A"	644	610	34.74
21	A"	522	495	84.25

Atom	x (Å)	y (Å)
N1	0.000	1.104
C2	-1.089	0.283
C3	1.118	0.308
N4	-0.740	-0.993
C5	0.634	-0.984
H6	-0.009	2.112
H7	-2.102	0.661
H8	2.119	0.713
H9	1.200	-1.904

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3644	1.3733	2.2242	2.1826	1.0072	2.1482	2.1543	3.2394
C2	1.3644		2.2080	1.3228	2.1388	2.1239	1.0809	3.2367	3.1666
C3	1.3733	2.2080		2.2687	1.3799	2.1274	3.2398	1.0793	2.2136
N4	2.2242	1.3228	2.2687		1.3739	3.1895	2.1425	3.3294	2.1441
C5	2.1826	2.1388	1.3799	1.3739		3.1618	3.1923	2.2555	1.0808
H6	1.0072	2.1239	2.1274	3.1895	3.1618		2.5463	2.5460	4.1942
H7	2.1482	1.0809	3.2398	2.1425	3.1923	2.5463		4.2209	4.1819
H8	2.1543	3.2367	1.0793	3.3294	2.2555	2.5460	4.2209		2.7742
H9	3.2394	3.1666	2.2136	2.1441	1.0808	4.1942	4.1819	2.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.719	N1	C2	H7	122.499
N1	C3	C5	104.891	N1	C3	H8	122.450
C2	N1	C3	107.516	C2	N1	H6	126.497
C2	N4	C5	104.935	C3	N1	H6	125.987
C3	C5	N4	110.940	C3	C5	H9	127.794
N4	C2	H7	125.782	N4	C5	H9	121.267
C5	C3	H8	132.659

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

using model chemistry: MP2=FULL/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 (1H-Imidazole)

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

States and conformations

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