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	hartrees
Energy at 0K	-225.554905
Energy at 298.15K	-225.560781
HF Energy	-224.792380
Nuclear repulsion energy	159.492271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3235	3089
2	A'	3213	3068
3	A'	3064	2926
4	A'	1621	1547
5	A'	1536	1467
6	A'	1458	1392
7	A'	1330	1270
8	A'	1317	1257
9	A'	1283	1225
10	A'	1033	986
11	A'	999	954
12	A'	957	913
13	A'	873	833
14	A'	868	829
15	A"	3110	2969
16	A"	1169	1116
17	A"	1005	959
18	A"	930	888
19	A"	756	722
20	A"	556	531
21	A"	363	347

Atom	x (Å)	y (Å)	z (Å)
N1	-1.212	0.364	0.000
C2	0.000	1.142	0.000
N3	1.129	0.505	0.000
C4	0.735	-0.909	0.000
C5	-0.769	-0.860	0.000
H6	-0.071	2.229	0.000
H7	1.147	-1.415	0.887
H8	1.147	-1.415	-0.887
H9	-1.440	-1.719	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4404	2.3456	2.3265	1.3015	2.1862	3.0847	3.0847	2.0956
C2	1.4404		1.2965	2.1789	2.1446	1.0889	2.9394	2.9394	3.2032
N3	2.3456	1.2965		1.4680	2.3381	2.1002	2.1151	2.1151	3.3983
C4	2.3265	2.1789	1.4680		1.5051	3.2396	1.1009	1.1009	2.3212
C5	1.3015	2.1446	2.3381	1.5051		3.1664	2.1829	2.1829	1.0903
H6	2.1862	1.0889	2.1002	3.2396	3.1664		3.9428	3.9428	4.1786
H7	3.0847	2.9394	2.1151	1.1009	2.1829	3.9428		1.7737	2.7514
H8	3.0847	2.9394	2.1151	1.1009	2.1829	3.9428	1.7737		2.7514
H9	2.0956	3.2032	3.3983	2.3212	1.0903	4.1786	2.7514	2.7514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.875	N1	C2	H6	118.966
N1	C5	C4	111.774	N1	C5	H9	122.119
C2	N1	C5	102.797	C2	N3	C4	103.858
N3	C2	H6	123.159	N3	C4	C5	103.695
N3	C4	H7	110.025	N3	C4	H8	110.025
C4	C5	H9	126.106	C5	C4	H7	112.869
C5	C4	H8	112.869	H7	C4	H8	107.340

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)

using model chemistry: MP4/6-31G*

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 (4H-Imidazole)

using model chemistry: MP4/6-31G*

States and conformations

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)