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	hartrees
Energy at 0K	-225.554784
Energy at 298.15K	-225.560710
HF Energy	-224.752332
Nuclear repulsion energy	165.144145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3243	3121
2	A₁	3073	2958
3	A₁	1675	1613
4	A₁	1418	1365
5	A₁	1386	1334
6	A₁	1255	1208
7	A₁	1025	986
8	A₁	917	883
9	A₂	1139	1096
10	A₂	864	832
11	A₂	514	495
12	B₁	3126	3009
13	B₁	998	961
14	B₁	800	770
15	B₁	332	319
16	B₂	3228	3106
17	B₂	1733	1668
18	B₂	1392	1339
19	B₂	1226	1180
20	B₂	1074	1034
21	B₂	919	884

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.220
N2	0.000	0.998	0.285
N3	0.000	-0.998	0.285
C4	0.000	0.735	-0.960
C5	0.000	-0.735	-0.960
H6	-0.907	0.000	1.848
H7	0.907	0.000	1.848
H8	0.000	1.498	-1.743
H9	0.000	-1.498	-1.743

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3670	1.3670	2.3006	2.3006	1.1030	1.1030	3.3194	3.3194
N2	1.3670		1.9957	1.2732	2.1341	2.0638	2.0638	2.0888	3.2156
N3	1.3670	1.9957		2.1341	1.2732	2.0638	2.0638	3.2156	2.0888
C4	2.3006	1.2732	2.1341		1.4699	3.0412	3.0412	1.0925	2.3656
C5	2.3006	2.1341	1.2732	1.4699		3.0412	3.0412	2.3656	1.0925
H6	1.1030	2.0638	2.0638	3.0412	3.0412		1.8131	3.9947	3.9947
H7	1.1030	2.0638	2.0638	3.0412	3.0412	1.8131		3.9947	3.9947
H8	3.3194	2.0888	3.2156	1.0925	2.3656	3.9947	3.9947		2.9951
H9	3.3194	3.2156	2.0888	2.3656	1.0925	3.9947	3.9947	2.9951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.200	C1	N3	C5	121.200
N2	C1	N3	93.768	N2	C1	H6	112.912
N2	C1	H7	112.912	N2	C4	C5	101.916
N2	C4	H8	123.817	N3	C1	H6	112.912
N3	C1	H7	112.912	N3	C5	C4	101.916
N3	C5	H9	123.817	C4	C5	H9	134.267
C5	C4	H8	134.267	H6	C1	H7	110.554

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

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

States and conformations

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