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	hartrees
Energy at 0K	-225.139494
Energy at 298.15K	-225.145604
HF Energy	-224.707697
Nuclear repulsion energy	161.932734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3795	3549	74.05
2	A'	3384	3164	2.17
3	A'	3366	3148	2.74
4	A'	3356	3139	1.53
5	A'	1627	1521	20.96
6	A'	1554	1453	16.40
7	A'	1505	1407	25.72
8	A'	1410	1318	11.02
9	A'	1332	1245	1.66
10	A'	1214	1135	1.10
11	A'	1162	1086	7.75
12	A'	1145	1071	17.26
13	A'	1104	1032	40.40
14	A'	986	923	3.06
15	A'	956	894	8.03
16	A"	882	825	6.68
17	A"	843	788	27.07
18	A"	759	709	37.90
19	A"	693	648	8.00
20	A"	663	620	93.91
21	A"	635	593	108.42

Atom	x (Å)	y (Å)
N1	0.000	1.112
C2	-1.106	0.290
C3	1.128	0.296
N4	-0.750	-0.986
C5	0.651	-0.992
H6	-0.005	2.114
H7	-2.116	0.661
H8	2.129	0.694
H9	1.203	-1.915

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3780	1.3922	2.2282	2.2021	1.0019	2.1640	2.1697	3.2572
C2	1.3780		2.2344	1.3246	2.1749	2.1302	1.0763	3.2600	3.1927
C3	1.3922	2.2344		2.2749	1.3736	2.1420	3.2652	1.0765	2.2127
N4	2.2282	1.3246	2.2749		1.4018	3.1882	2.1394	3.3336	2.1632
C5	2.2021	2.1749	1.3736	1.4018		3.1741	3.2233	2.2413	1.0757
H6	1.0019	2.1302	2.1420	3.1882	3.1741		2.5628	2.5637	4.2061
H7	2.1640	1.0763	3.2652	2.1394	3.2233	2.5628		4.2455	4.2015
H8	2.1697	3.2600	1.0765	3.3336	2.2413	2.5637	4.2455		2.7679
H9	3.2572	3.1927	2.2127	2.1632	1.0757	4.2061	4.2015	2.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.055	N1	C2	H7	123.231
N1	C3	C5	105.527	N1	C3	H8	122.500
C2	N1	C3	107.525	C2	N1	H6	126.313
C2	N4	C5	105.794	C3	N1	H6	126.162
C3	C5	N4	110.098	C3	C5	H9	128.808
N4	C2	H7	125.713	N4	C5	H9	121.093
C5	C3	H8	131.973

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

using model chemistry: CID/6-31G

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: CID/6-31G

States and conformations

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