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	hartrees
Energy at 0K	-225.656820
Energy at 298.15K	-225.662452
HF Energy	-224.885588
Nuclear repulsion energy	163.625061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3514	79.60
2	A'	3354	3137	1.25
3	A'	3327	3111	0.42
4	A'	3325	3109	4.60
5	A'	1608	1504	11.81
6	A'	1553	1452	25.99
7	A'	1490	1393	21.43
8	A'	1403	1312	7.35
9	A'	1321	1235	0.90
10	A'	1183	1106	7.46
11	A'	1176	1100	3.24
12	A'	1126	1053	16.17
13	A'	1104	1032	39.21
14	A'	962	900	1.78
15	A'	928	868	5.52
16	A"	778	728	74.96
17	A"	755	706	0.73
18	A"	678	635	7.98
19	A"	653	610	9.31
20	A"	579	541	36.93
21	A"	271	253	67.92

Atom	x (Å)	y (Å)
N1	0.000	1.105
C2	-1.084	0.280
C3	1.117	0.297
N4	-0.745	-0.981
C5	0.636	-0.982
H6	-0.013	2.107
H7	-2.092	0.659
H8	2.114	0.696
H9	1.194	-1.900

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3626	1.3781	2.2151	2.1815	1.0025	2.1392	2.1529	3.2340
C2	1.3626		2.2013	1.3063	2.1335	2.1184	1.0765	3.2253	3.1539
C3	1.3781	2.2013		2.2582	1.3666	2.1335	3.2292	1.0739	2.1992
N4	2.2151	1.3063	2.2582		1.3805	3.1741	2.1228	3.3143	2.1458
C5	2.1815	2.1335	1.3666	1.3805		3.1566	3.1834	2.2362	1.0750
H6	1.0025	2.1184	2.1335	3.1741	3.1566		2.5340	2.5522	4.1856
H7	2.1392	1.0765	3.2292	2.1228	3.1834	2.5340		4.2061	4.1655
H8	2.1529	3.2253	1.0739	3.3143	2.2362	2.5522	4.2061		2.7547
H9	3.2340	3.1539	2.1992	2.1458	1.0750	4.1856	4.1655	2.7547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.176	N1	C2	H7	122.131
N1	C3	C5	105.271	N1	C3	H8	122.321
C2	N1	C3	106.869	C2	N1	H6	126.523
C2	N4	C5	105.106	C3	N1	H6	126.609
C3	C5	N4	110.579	C3	C5	H9	128.097
N4	C2	H7	125.693	N4	C5	H9	121.324
C5	C3	H8	132.408

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

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

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