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	hartrees
Energy at 0K	-225.634601
Energy at 298.15K	-225.640470
HF Energy	-224.824062
Nuclear repulsion energy	158.750177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3224	3103
2	A'	3201	3080
3	A'	3039	2925
4	A'	1606	1546
5	A'	1518	1461
6	A'	1400	1348
7	A'	1304	1255
8	A'	1292	1244
9	A'	1246	1200
10	A'	1017	979
11	A'	985	948
12	A'	938	902
13	A'	863	831
14	A'	857	825
15	A"	3086	2970
16	A"	1146	1103
17	A"	980	943
18	A"	934	899
19	A"	744	716
20	A"	545	525
21	A"	359	345

Atom	x (Å)	y (Å)	z (Å)
N1	-1.215	0.364	0.000
C2	0.000	1.149	0.000
N3	1.133	0.508	0.000
C4	0.740	-0.914	0.000
C5	-0.773	-0.865	0.000
H6	-0.070	2.241	0.000
H7	1.150	-1.422	0.894
H8	1.150	-1.422	-0.894
H9	-1.452	-1.726	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4469	2.3523	2.3358	1.3063	2.1991	3.0956	3.0956	2.1032
C2	1.4469		1.3017	2.1920	2.1579	1.0941	2.9553	2.9553	3.2210
N3	2.3523	1.3017		1.4750	2.3490	2.1095	2.1271	2.1271	3.4162
C4	2.3358	2.1920	1.4750		1.5140	3.2574	1.1068	1.1068	2.3376
C5	1.3063	2.1579	2.3490	1.5140		3.1851	2.1924	2.1924	1.0961
H6	2.1991	1.0941	2.1095	3.2574	3.1851		3.9632	3.9632	4.2009
H7	3.0956	2.9553	2.1271	1.1068	2.1924	3.9632		1.7873	2.7677
H8	3.0956	2.9553	2.1271	1.1068	2.1924	3.9632	1.7873		2.7677
H9	2.1032	3.2210	3.4162	2.3376	1.0961	4.2009	2.7677	2.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.602	N1	C2	H6	119.218
N1	C5	C4	111.623	N1	C5	H9	121.948
C2	N1	C5	103.093	C2	N3	C4	104.086
N3	C2	H6	123.179	N3	C4	C5	103.595
N3	C4	H7	110.135	N3	C4	H8	110.135
C4	C5	H9	126.430	C5	C4	H7	112.630
C5	C4	H8	112.630	H7	C4	H8	107.690

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

using model chemistry: CCSD(T)/aug-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 (4H-Imidazole)

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

States and conformations

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