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	hartrees
Energy at 0K	-225.611746
Energy at 298.15K	-225.617636
HF Energy	-224.831509
Nuclear repulsion energy	161.710601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3673	3595
2	A'	3290	3220
3	A'	3264	3195
4	A'	3259	3190
5	A'	1557	1524
6	A'	1519	1486
7	A'	1463	1432
8	A'	1366	1337
9	A'	1270	1243
10	A'	1161	1137
11	A'	1140	1116
12	A'	1091	1068
13	A'	1071	1049
14	A'	928	908
15	A'	894	875
16	A"	838	820
17	A"	805	788
18	A"	709	694
19	A"	671	657
20	A"	632	618
21	A"	470	460

Atom	x (Å)	y (Å)
N1	0.000	1.115
C2	-1.094	0.283
C3	1.129	0.307
N4	-0.752	-1.000
C5	0.639	-0.991
H6	-0.014	2.129
H7	-2.116	0.670
H8	2.139	0.719
H9	1.213	-1.920

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3742	1.3878	2.2442	2.2003	1.0141	2.1621	2.1749	3.2681
C2	1.3742		2.2229	1.3279	2.1511	2.1385	1.0925	3.2619	3.1901
C3	1.3878	2.2229		2.2902	1.3871	2.1500	3.2647	1.0906	2.2288
N4	2.2442	1.3279	2.2902		1.3912	3.2145	2.1561	3.3628	2.1697
C5	2.2003	2.1511	1.3871	1.3912		3.1870	3.2169	2.2738	1.0922
H6	1.0141	2.1385	2.1500	3.2145	3.1870		2.5588	2.5729	4.2305
H7	2.1621	1.0925	3.2647	2.1561	3.2169	2.5588		4.2547	4.2177
H8	2.1749	3.2619	1.0906	3.3628	2.2738	2.5729	4.2547		2.7964
H9	3.2681	3.1901	2.2288	2.1697	1.0922	4.2305	4.2177	2.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.301	N1	C2	H7	122.034
N1	C3	C5	104.919	N1	C3	H8	122.248
C2	N1	C3	107.187	C2	N1	H6	126.467
C2	N4	C5	104.555	C3	N1	H6	126.347
C3	C5	N4	111.039	C3	C5	H9	127.647
N4	C2	H7	125.664	N4	C5	H9	121.315
C5	C3	H8	132.833

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

using model chemistry: CCSD(T)/cc-pVDZ

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: CCSD(T)/cc-pVDZ

States and conformations

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