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	hartrees
Energy at 0K	-225.666803
Energy at 298.15K	-225.672667
HF Energy	-224.844068
Nuclear repulsion energy	159.527654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3220	3122
2	A'	3197	3100
3	A'	3057	2965
4	A'	1599	1550
5	A'	1513	1467
6	A'	1422	1379
7	A'	1311	1272
8	A'	1297	1258
9	A'	1261	1223
10	A'	1022	991
11	A'	996	966
12	A'	940	912
13	A'	865	839
14	A'	860	834
15	A"	3104	3010
16	A"	1155	1120
17	A"	992	962
18	A"	932	904
19	A"	745	722
20	A"	549	532
21	A"	349	339

Atom	x (Å)	y (Å)	z (Å)
N1	-1.213	0.360	0.000
C2	0.000	1.140	0.000
N3	1.129	0.508	0.000
C4	0.739	-0.907	0.000
C5	-0.770	-0.861	0.000
H6	-0.076	2.225	0.000
H7	1.145	-1.410	0.888
H8	1.145	-1.410	-0.888
H9	-1.440	-1.719	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4424	2.3473	2.3272	1.2990	2.1843	3.0802	3.0802	2.0916
C2	1.4424		1.2944	2.1763	2.1438	1.0873	2.9338	2.9338	3.2014
N3	2.3473	1.2944		1.4676	2.3407	2.0977	2.1141	2.1141	3.4000
C4	2.3272	2.1763	1.4676		1.5091	3.2359	1.0992	1.0992	2.3251
C5	1.2990	2.1438	2.3407	1.5091		3.1627	2.1814	2.1814	1.0891
H6	2.1843	1.0873	2.0977	3.2359	3.1627		3.9365	3.9365	4.1733
H7	3.0802	2.9338	2.1141	1.0992	2.1814	3.9365		1.7770	2.7509
H8	3.0802	2.9338	2.1141	1.0992	2.1814	3.9365	1.7770		2.7509
H9	2.0916	3.2014	3.4000	2.3251	1.0891	4.1733	2.7509	2.7509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	118.018	N1	C2	H6	118.747
N1	C5	C4	111.725	N1	C5	H9	122.046
C2	N1	C5	102.764	C2	N3	C4	103.810
N3	C2	H6	123.235	N3	C4	C5	103.683
N3	C4	H7	110.072	N3	C4	H8	110.072
C4	C5	H9	126.229	C5	C4	H7	112.561
C5	C4	H8	112.561	H7	C4	H8	107.856

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

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

States and conformations

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