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	hartrees
Energy at 0K	-225.508567
Energy at 298.15K	-225.514531
HF Energy	-224.753074
Nuclear repulsion energy	165.614882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3186	9.01
2	A₁	3112	3016	1.46
3	A₁	1651	1600	21.35
4	A₁	1414	1370	1.98
5	A₁	1381	1338	26.74
6	A₁	1265	1226	4.03
7	A₁	1044	1012	0.15
8	A₁	922	894	10.03
9	A₂	1138	1103	0.00
10	A₂	886	859	0.00
11	A₂	529	513	0.00
12	B₁	3174	3076	2.24
13	B₁	994	963	23.85
14	B₁	813	788	5.64
15	B₁	341	330	35.60
16	B₂	3272	3171	1.64
17	B₂	1721	1668	0.00
18	B₂	1385	1342	37.52
19	B₂	1230	1192	1.98
20	B₂	1083	1050	33.88
21	B₂	927	898	59.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.213
N2	0.000	0.997	0.287
N3	0.000	-0.997	0.287
C4	0.000	0.730	-0.958
C5	0.000	-0.730	-0.958
H6	-0.904	0.000	1.840
H7	0.904	0.000	1.840
H8	0.000	1.489	-1.739
H9	0.000	-1.489	-1.739

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3610	1.3610	2.2909	2.2909	1.0996	1.0996	3.3062	3.3062
N2	1.3610		1.9945	1.2739	2.1292	2.0546	2.0546	2.0846	3.2072
N3	1.3610	1.9945		2.1292	1.2739	2.0546	2.0546	3.2072	2.0846
C4	2.2909	1.2739	2.1292		1.4592	3.0295	3.0295	1.0889	2.3520
C5	2.2909	2.1292	1.2739	1.4592		3.0295	3.0295	2.3520	1.0889
H6	1.0996	2.0546	2.0546	3.0295	3.0295		1.8076	3.9797	3.9797
H7	1.0996	2.0546	2.0546	3.0295	3.0295	1.8076		3.9797	3.9797
H8	3.3062	2.0846	3.2072	1.0889	2.3520	3.9797	3.9797		2.9784
H9	3.3062	3.2072	2.0846	2.3520	1.0889	3.9797	3.9797	2.9784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.754	C1	N3	C5	120.754
N2	C1	N3	94.235	N2	C1	H6	112.805
N2	C1	H7	112.805	N2	C4	C5	102.128
N2	C4	H8	123.640	N3	C1	H6	112.805
N3	C1	H7	112.805	N3	C5	C4	102.128
N3	C5	H9	123.640	C4	C5	H9	134.232
C5	C4	H8	134.232	H6	C1	H7	110.557

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

using model chemistry: MP2=FULL/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: MP2=FULL/aug-cc-pVDZ

States and conformations

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