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	hartrees
Energy at 0K	-225.588240
Energy at 298.15K	-225.594190
HF Energy	-224.774082
Nuclear repulsion energy	165.887180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3240	3142
2	A₁	3086	2993
3	A₁	1674	1623
4	A₁	1438	1395
5	A₁	1389	1347
6	A₁	1254	1216
7	A₁	1028	997
8	A₁	914	886
9	A₂	1150	1115
10	A₂	870	843
11	A₂	526	510
12	B₁	3136	3041
13	B₁	1020	989
14	B₁	809	784
15	B₁	339	328
16	B₂	3225	3128
17	B₂	1726	1674
18	B₂	1393	1351
19	B₂	1238	1200
20	B₂	1084	1051
21	B₂	928	900

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.211
N2	0.000	0.997	0.284
N3	0.000	-0.997	0.284
C4	0.000	0.733	-0.954
C5	0.000	-0.733	-0.954
H6	-0.901	0.000	1.836
H7	0.901	0.000	1.836
H8	0.000	1.489	-1.733
H9	0.000	-1.489	-1.733

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3620	1.3620	2.2861	2.2861	1.0958	1.0958	3.2991	3.2991
N2	1.3620		1.9947	1.2659	2.1274	2.0527	2.0527	2.0756	3.2011
N3	1.3620	1.9947		2.1274	1.2659	2.0527	2.0527	3.2011	2.0756
C4	2.2861	1.2659	2.1274		1.4655	3.0216	3.0216	1.0852	2.3539
C5	2.2861	2.1274	1.2659	1.4655		3.0216	3.0216	2.3539	1.0852
H6	1.0958	2.0527	2.0527	3.0216	3.0216		1.8014	3.9699	3.9699
H7	1.0958	2.0527	2.0527	3.0216	3.0216	1.8014		3.9699	3.9699
H8	3.2991	2.0756	3.2011	1.0852	2.3539	3.9699	3.9699		2.9773
H9	3.2991	3.2011	2.0756	2.3539	1.0852	3.9699	3.9699	2.9773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.857	C1	N3	C5	120.857
N2	C1	N3	94.155	N2	C1	H6	112.822
N2	C1	H7	112.822	N2	C4	C5	102.066
N2	C4	H8	123.783	N3	C1	H6	112.822
N3	C1	H7	112.822	N3	C5	C4	102.066
N3	C5	H9	123.783	C4	C5	H9	134.151
C5	C4	H8	134.151	H6	C1	H7	110.561

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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