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	hartrees
Energy at 0K	-225.839475
Energy at 298.15K	-225.845413
HF Energy	-224.893060
Nuclear repulsion energy	162.781572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3672	3559
2	A'	3286	3185
3	A'	3259	3158
4	A'	3256	3156
5	A'	1535	1488
6	A'	1497	1450
7	A'	1439	1395
8	A'	1353	1312
9	A'	1271	1232
10	A'	1153	1117
11	A'	1142	1106
12	A'	1091	1057
13	A'	1071	1038
14	A'	928	900
15	A'	892	865
16	A"	854	828
17	A"	810	785
18	A"	722	700
19	A"	675	654
20	A"	640	621
21	A"	503	487

Atom	x (Å)	y (Å)
N1	0.000	1.108
C2	-1.091	0.284
C3	1.121	0.303
N4	-0.746	-0.993
C5	0.638	-0.985
H6	-0.011	2.113
H7	-2.099	0.665
H8	2.118	0.709
H9	1.203	-1.903

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3669	1.3799	2.2286	2.1877	1.0054	2.1457	2.1553	3.2417
C2	1.3669		2.2117	1.3220	2.1438	2.1241	1.0784	3.2367	3.1685
C3	1.3799	2.2117		2.2723	1.3760	2.1349	3.2407	1.0764	2.2073
N4	2.2286	1.3220	2.2723		1.3831	3.1912	2.1398	3.3310	2.1506
C5	2.1877	2.1438	1.3760	1.3831		3.1653	3.1957	2.2498	1.0777
H6	1.0054	2.1241	2.1349	3.1912	3.1653		2.5414	2.5505	4.1951
H7	2.1457	1.0784	3.2407	2.1398	3.1957	2.5414		4.2177	4.1828
H8	2.1553	3.2367	1.0764	3.3310	2.2498	2.5505	4.2177		2.7672
H9	3.2417	3.1685	2.2073	2.1506	1.0777	4.1951	4.1828	2.7672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.949	N1	C2	H7	122.239
N1	C3	C5	105.088	N1	C3	H8	122.192
C2	N1	C3	107.261	C2	N1	H6	126.440
C2	N4	C5	104.819	C3	N1	H6	126.298
C3	C5	N4	110.882	C3	C5	H9	127.778
N4	C2	H7	125.813	N4	C5	H9	121.339
C5	C3	H8	132.720

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

using model chemistry: MP4/cc-pVTZ

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-pVTZ

States and conformations

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