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	hartrees
Energy at 0K	-223.950188
Energy at 298.15K	-223.956159
HF Energy	-223.510505
Nuclear repulsion energy	158.183875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3345	3126	8.83
2	A'	3307	3090	5.59
3	A'	3163	2955	0.39
4	A'	1655	1546	24.75
5	A'	1587	1483	7.28
6	A'	1531	1430	11.62
7	A'	1354	1265	16.96
8	A'	1340	1252	1.88
9	A'	1314	1228	11.69
10	A'	1010	944	43.65
11	A'	965	902	4.22
12	A'	910	850	6.00
13	A'	864	807	12.42
14	A'	835	780	13.85
15	A"	3211	3000	0.94
16	A"	1226	1146	0.03
17	A"	1061	991	21.43
18	A"	1004	938	0.01
19	A"	812	759	10.62
20	A"	589	551	24.41
21	A"	397	371	10.26

Atom	x (Å)	y (Å)	z (Å)
N1	1.137	0.556	0.000
C2	0.772	-0.882	0.000
N3	-0.484	-1.143	0.000
C4	-1.178	0.199	0.000
C5	0.000	1.170	0.000
H6	1.557	-1.616	0.000
H7	-1.800	0.283	0.892
H8	-1.800	0.283	-0.892
H9	-0.086	2.244	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4840	2.3485	2.3427	1.2918	2.2123	3.0814	3.0814	2.0839
C2	1.4840		1.2832	2.2301	2.1925	1.0744	2.9614	2.9614	3.2416
N3	2.3485	1.2832		1.5106	2.3629	2.0955	2.1355	2.1355	3.4100
C4	2.3427	2.2301	1.5106		1.5269	3.2827	1.0903	1.0903	2.3185
C5	1.2918	2.1925	2.3629	1.5269		3.1912	2.1958	2.1958	1.0774
H6	2.2123	1.0744	2.0955	3.2827	3.1912		3.9588	3.9588	4.1946
H7	3.0814	2.9614	2.1355	1.0903	2.1958	3.9588		1.7835	2.7527
H8	3.0814	2.9614	2.1355	1.0903	2.1958	3.9588	1.7835		2.7527
H9	2.0839	3.2416	3.4100	2.3185	1.0774	4.1946	2.7527	2.7527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	115.948	N1	C2	H6	118.831
N1	C5	C4	112.158	N1	C5	H9	122.926
C2	N1	C5	104.129	C2	N3	C4	105.629
N3	C2	H6	125.221	N3	C4	C5	102.136
N3	C4	H7	109.312	N3	C4	H8	109.312
C4	C5	H9	124.916	C5	C4	H7	113.007
C5	C4	H8	113.007	H7	C4	H8	109.741

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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