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	hartrees
Energy at 0K	-225.547272
Energy at 298.15K	-225.553203
HF Energy	-224.737237
Nuclear repulsion energy	165.982497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3299	3299
2	A₁	3126	3126
3	A₁	1703	1703
4	A₁	1468	1468
5	A₁	1419	1419
6	A₁	1268	1268
7	A₁	1044	1044
8	A₁	933	933
9	A₂	1160	1160
10	A₂	844	844
11	A₂	511	511
12	B₁	3180	3180
13	B₁	1028	1028
14	B₁	809	809
15	B₁	332	332
16	B₂	3285	3285
17	B₂	1763	1763
18	B₂	1420	1420
19	B₂	1266	1266
20	B₂	1093	1093
21	B₂	929	929

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.214
N2	0.000	0.998	0.284
N3	0.000	-0.998	0.284
C4	0.000	0.728	-0.955
C5	0.000	-0.728	-0.955
H6	-0.896	0.000	1.836
H7	0.896	0.000	1.836
H8	0.000	1.477	-1.733
H9	0.000	-1.477	-1.733

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3636	1.3636	2.2878	2.2878	1.0907	1.0907	3.2958	3.2958
N2	1.3636		1.9951	1.2679	2.1247	2.0510	2.0510	2.0728	3.1923
N3	1.3636	1.9951		2.1247	1.2679	2.0510	2.0510	3.1923	2.0728
C4	2.2878	1.2679	2.1247		1.4570	3.0206	3.0206	1.0794	2.3387
C5	2.2878	2.1247	1.2679	1.4570		3.0206	3.0206	2.3387	1.0794
H6	1.0907	2.0510	2.0510	3.0206	3.0206		1.7911	3.9649	3.9649
H7	1.0907	2.0510	2.0510	3.0206	3.0206	1.7911		3.9649	3.9649
H8	3.2958	2.0728	3.1923	1.0794	2.3387	3.9649	3.9649		2.9543
H9	3.2958	3.1923	2.0728	2.3387	1.0794	3.9649	3.9649	2.9543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.734	C1	N3	C5	120.734
N2	C1	N3	94.030	N2	C1	H6	112.904
N2	C1	H7	112.904	N2	C4	C5	102.250
N2	C4	H8	123.833	N3	C1	H6	112.904
N3	C1	H7	112.904	N3	C5	C4	102.250
N3	C5	H9	123.833	C4	C5	H9	133.916
C5	C4	H8	133.916	H6	C1	H7	110.386

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

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

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: QCISD(T)=FULL/6-31+G**

States and conformations

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