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	hartrees
Energy at 0K	-225.496331
Energy at 298.15K	-225.502283
HF Energy	-224.722584
Nuclear repulsion energy	166.084722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3253	3158
2	A₁	3086	2995
3	A₁	1720	1669
4	A₁	1470	1427
5	A₁	1420	1378
6	A₁	1276	1239
7	A₁	1051	1020
8	A₁	943	916
9	A₂	1163	1129
10	A₂	855	830
11	A₂	526	511
12	B₁	3133	3042
13	B₁	1031	1001
14	B₁	806	783
15	B₁	348	338
16	B₂	3238	3144
17	B₂	1778	1726
18	B₂	1423	1381
19	B₂	1260	1223
20	B₂	1095	1063
21	B₂	938	911

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.210
N2	0.000	0.997	0.283
N3	0.000	-0.997	0.283
C4	0.000	0.728	-0.953
C5	0.000	-0.728	-0.953
H6	-0.899	0.000	1.839
H7	0.899	0.000	1.839
H8	0.000	1.480	-1.737
H9	0.000	-1.480	-1.737

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3617	1.3617	2.2821	2.2821	1.0973	1.0973	3.2976	3.2976
N2	1.3617		1.9947	1.2649	2.1222	2.0551	2.0551	2.0767	3.1963
N3	1.3617	1.9947		2.1222	1.2649	2.0551	2.0551	3.1963	2.0767
C4	2.2821	1.2649	2.1222		1.4557	3.0218	3.0218	1.0863	2.3428
C5	2.2821	2.1222	1.2649	1.4557		3.0218	3.0218	2.3428	1.0863
H6	1.0973	2.0551	2.0551	3.0218	3.0218		1.7990	3.9727	3.9727
H7	1.0973	2.0551	2.0551	3.0218	3.0218	1.7990		3.9727	3.9727
H8	3.2976	2.0767	3.1963	1.0863	2.3428	3.9727	3.9727		2.9597
H9	3.2976	3.1963	2.0767	2.3428	1.0863	3.9727	3.9727	2.9597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.609	C1	N3	C5	120.609
N2	C1	N3	94.182	N2	C1	H6	112.953
N2	C1	H7	112.953	N2	C4	C5	102.300
N2	C4	H8	123.891	N3	C1	H6	112.953
N3	C1	H7	112.953	N3	C5	C4	102.300
N3	C5	H9	123.891	C4	C5	H9	133.809
C5	C4	H8	133.809	H6	C1	H7	110.112

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)

using model chemistry: CCSD(T)=FULL/6-31G*

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 (2H-Imidazole)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)