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	hartrees
Energy at 0K	-225.557683
Energy at 298.15K	-225.563606
HF Energy	-224.751751
Nuclear repulsion energy	165.029678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3252	3177
2	A₁	3085	3014
3	A₁	1699	1660
4	A₁	1466	1432
5	A₁	1410	1378
6	A₁	1271	1242
7	A₁	1047	1023
8	A₁	932	911
9	A₂	1156	1129
10	A₂	849	829
11	A₂	530	518
12	B₁	3134	3062
13	B₁	1029	1005
14	B₁	802	783
15	B₁	349	341
16	B₂	3238	3163
17	B₂	1755	1714
18	B₂	1412	1379
19	B₂	1253	1224
20	B₂	1092	1067
21	B₂	936	914

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.220
N2	0.000	0.998	0.287
N3	0.000	-0.998	0.287
C4	0.000	0.736	-0.962
C5	0.000	-0.736	-0.962
H6	-0.907	0.000	1.849
H7	0.907	0.000	1.849
H8	0.000	1.500	-1.743
H9	0.000	-1.500	-1.743

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3663	1.3663	2.3026	2.3026	1.1033	1.1033	3.3210	3.3210
N2	1.3663		1.9956	1.2758	2.1363	2.0633	2.0633	2.0908	3.2184
N3	1.3663	1.9956		2.1363	1.2758	2.0633	2.0633	3.2184	2.0908
C4	2.3026	1.2758	2.1363		1.4713	3.0434	3.0434	1.0928	2.3681
C5	2.3026	2.1363	1.2758	1.4713		3.0434	3.0434	2.3681	1.0928
H6	1.1033	2.0633	2.0633	3.0434	3.0434		1.8134	3.9964	3.9964
H7	1.1033	2.0633	2.0633	3.0434	3.0434	1.8134		3.9964	3.9964
H8	3.3210	2.0908	3.2184	1.0928	2.3681	3.9964	3.9964		2.9999
H9	3.3210	3.2184	2.0908	2.3681	1.0928	3.9964	3.9964	2.9999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.233	C1	N3	C5	121.233
N2	C1	N3	93.820	N2	C1	H6	112.905
N2	C1	H7	112.905	N2	C4	C5	101.857
N2	C4	H8	123.762	N3	C1	H6	112.905
N3	C1	H7	112.905	N3	C5	C4	101.857
N3	C5	H9	123.762	C4	C5	H9	134.381
C5	C4	H8	134.381	H6	C1	H7	110.539

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

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

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