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	hartrees
Energy at 0K	-225.629949
Energy at 298.15K	-225.635885
HF Energy	-224.866401
Nuclear repulsion energy	162.885460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3693	3693
2	A'	3314	3314
3	A'	3291	3291
4	A'	3285	3285
5	A'	1542	1542
6	A'	1514	1514
7	A'	1477	1477
8	A'	1374	1374
9	A'	1280	1280
10	A'	1193	1193
11	A'	1157	1157
12	A'	1108	1108
13	A'	1089	1089
14	A'	938	938
15	A'	900	900
16	A"	828	828
17	A"	786	786
18	A"	701	701
19	A"	680	680
20	A"	640	640
21	A"	513	513

Atom	x (Å)	y (Å)
N1	0.000	1.105
C2	-1.091	0.283
C3	1.120	0.308
N4	-0.741	-0.994
C5	0.634	-0.985
H6	-0.011	2.113
H7	-2.102	0.664
H8	2.119	0.715
H9	1.202	-1.904

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3659	1.3744	2.2260	2.1836	1.0084	2.1479	2.1547	3.2398
C2	1.3659		2.2110	1.3238	2.1405	2.1253	1.0806	3.2390	3.1684
C3	1.3744	2.2110		2.2716	1.3812	2.1300	3.2417	1.0790	2.2134
N4	2.2260	1.3238	2.2716		1.3754	3.1920	2.1448	3.3324	2.1459
C5	2.1836	2.1405	1.3812	1.3754		3.1643	3.1943	2.2574	1.0805
H6	1.0084	2.1253	2.1300	3.1920	3.1643		2.5444	2.5478	4.1960
H7	2.1479	1.0806	3.2417	2.1448	3.1943	2.5444		4.2216	4.1845
H8	2.1547	3.2390	1.0790	3.3324	2.2574	2.5478	4.2216		2.7749
H9	3.2398	3.1684	2.2134	2.1459	1.0805	4.1960	4.1845	2.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.693	N1	C2	H7	122.356
N1	C3	C5	104.825	N1	C3	H8	122.403
C2	N1	C3	107.573	C2	N1	H6	126.382
C2	N4	C5	104.918	C3	N1	H6	126.045
C3	C5	N4	110.991	C3	C5	H9	127.668
N4	C2	H7	125.951	N4	C5	H9	121.341
C5	C3	H8	132.771

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

using model chemistry: ROMP2/6-311G**

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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Number	Element	Mulliken
1	N	-0.411
2	C	0.244
3	C	0.005
4	N	-0.393
5	C	-0.032
6	H	0.242
7	H	0.120
8	H	0.118
9	H	0.107

<r²>	80.165
(<r²>)^1/2	8.953

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

using model chemistry: ROMP2/6-311G**

States and conformations

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