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	hartrees
Energy at 0K	-225.614671
Energy at 298.15K	-225.620557
HF Energy	-224.830990
Nuclear repulsion energy	161.588148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3667	3546
2	A'	3293	3184
3	A'	3265	3157
4	A'	3262	3154
5	A'	1541	1490
6	A'	1507	1457
7	A'	1458	1410
8	A'	1359	1314
9	A'	1263	1221
10	A'	1162	1124
11	A'	1136	1098
12	A'	1087	1051
13	A'	1069	1034
14	A'	923	893
15	A'	889	859
16	A"	831	803
17	A"	791	765
18	A"	704	680
19	A"	672	650
20	A"	634	613
21	A"	480	464

Atom	x (Å)	y (Å)
N1	0.000	1.115
C2	-1.095	0.284
C3	1.129	0.309
N4	-0.751	-1.002
C5	0.639	-0.991
H6	-0.013	2.130
H7	-2.117	0.671
H8	2.138	0.723
H9	1.214	-1.920

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3754	1.3872	2.2469	2.2016	1.0147	2.1632	2.1736	3.2693
C2	1.3754		2.2245	1.3313	2.1530	2.1404	1.0927	3.2631	3.1923
C3	1.3872	2.2245		2.2921	1.3896	2.1492	3.2661	1.0906	2.2309
N4	2.2469	1.3313	2.2921		1.3904	3.2182	2.1603	3.3649	2.1688
C5	2.2016	2.1530	1.3896	1.3904		3.1888	3.2190	2.2770	1.0922
H6	1.0147	2.1404	2.1492	3.2182	3.1888		2.5605	2.5700	4.2319
H7	2.1632	1.0927	3.2661	2.1603	3.2190	2.5605		4.2553	4.2204
H8	2.1736	3.2631	1.0906	3.3649	2.2770	2.5700	4.2553		2.8000
H9	3.2693	3.1923	2.2309	2.1688	1.0922	4.2319	4.2204	2.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.211	N1	C2	H7	122.022
N1	C3	C5	104.906	N1	C3	H8	122.164
C2	N1	C3	107.261	C2	N1	H6	126.486
C2	N4	C5	104.543	C3	N1	H6	126.253
C3	C5	N4	111.080	C3	C5	H9	127.623
N4	C2	H7	125.767	N4	C5	H9	121.297
C5	C3	H8	132.930

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)

using model chemistry: MP4/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 (1H-Imidazole)

using model chemistry: MP4/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)