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	hartrees
Energy at 0K	-225.568463
Energy at 298.15K	-225.574320
HF Energy	-224.829548
Nuclear repulsion energy	162.729324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3724	3503	77.26
2	A'	3360	3161	0.82
3	A'	3342	3143	0.84
4	A'	3335	3137	2.62
5	A'	1561	1468	6.43
6	A'	1525	1434	26.31
7	A'	1487	1398	19.40
8	A'	1395	1312	8.50
9	A'	1297	1220	1.12
10	A'	1191	1121	2.79
11	A'	1169	1100	3.80
12	A'	1122	1055	26.28
13	A'	1098	1032	29.72
14	A'	938	883	2.50
15	A'	899	846	4.75
16	A"	808	760	29.79
17	A"	762	716	61.27
18	A"	687	646	23.11
19	A"	666	627	0.08
20	A"	615	579	34.27
21	A"	475	447	74.14

Atom	x (Å)	y (Å)
N1	0.000	1.106
C2	-1.094	0.285
C3	1.121	0.306
N4	-0.741	-0.994
C5	0.637	-0.986
H6	-0.012	2.114
H7	-2.103	0.663
H8	2.118	0.712
H9	1.202	-1.903

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3677	1.3769	2.2272	2.1869	1.0082	2.1489	2.1541	3.2400
C2	1.3677		2.2152	1.3272	2.1477	2.1249	1.0771	3.2400	3.1718
C3	1.3769	2.2152		2.2714	1.3802	2.1336	3.2434	1.0760	2.2105
N4	2.2272	1.3272	2.2714		1.3781	3.1927	2.1449	3.3293	2.1454
C5	2.1869	2.1477	1.3802	1.3781		3.1675	3.1977	2.2530	1.0769
H6	1.0082	2.1249	2.1336	3.1927	3.1675		2.5447	2.5502	4.1964
H7	2.1489	1.0771	3.2434	2.1449	3.1977	2.5447		4.2207	4.1841
H8	2.1541	3.2400	1.0760	3.3293	2.2530	2.5502	4.2207		2.7701
H9	3.2400	3.1718	2.2105	2.1454	1.0769	4.1964	4.1841	2.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.456	N1	C2	H7	122.586
N1	C3	C5	104.967	N1	C3	H8	122.366
C2	N1	C3	107.625	C2	N1	H6	126.177
C2	N4	C5	105.082	C3	N1	H6	126.198
C3	C5	N4	110.870	C3	C5	H9	127.792
N4	C2	H7	125.958	N4	C5	H9	121.337
C5	C3	H8	132.668

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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