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	hartrees
Energy at 0K	-225.593413
Energy at 298.15K	-225.599272
HF Energy	-224.810814
Nuclear repulsion energy	162.512512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3651	3651
2	A'	3289	3289
3	A'	3264	3264
4	A'	3259	3259
5	A'	1579	1579
6	A'	1533	1533
7	A'	1473	1473
8	A'	1387	1387
9	A'	1296	1296
10	A'	1170	1170
11	A'	1165	1165
12	A'	1117	1117
13	A'	1090	1090
14	A'	941	941
15	A'	904	904
16	A"	816	816
17	A"	790	790
18	A"	693	693
19	A"	672	672
20	A"	627	627
21	A"	474	474

Atom	x (Å)	y (Å)
N1	0.000	1.109
C2	-1.092	0.283
C3	1.124	0.302
N4	-0.748	-0.992
C5	0.639	-0.984
H6	-0.011	2.121
H7	-2.108	0.664
H8	2.127	0.709
H9	1.203	-1.910

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3690	1.3834	2.2301	2.1881	1.0128	2.1542	2.1643	3.2498
C2	1.3690		2.2158	1.3209	2.1450	2.1326	1.0850	3.2472	3.1747
C3	1.3834	2.2158		2.2755	1.3744	2.1446	3.2519	1.0829	2.2134
N4	2.2301	1.3209	2.2755		1.3866	3.1997	2.1433	3.3408	2.1563
C5	2.1881	2.1450	1.3744	1.3866		3.1728	3.2032	2.2545	1.0846
H6	1.0128	2.1326	2.1446	3.1997	3.1728		2.5533	2.5626	4.2106
H7	2.1542	1.0850	3.2519	2.1433	3.2032	2.5533		4.2352	4.1942
H8	2.1643	3.2472	1.0829	3.3408	2.2545	2.5626	4.2352		2.7775
H9	3.2498	3.1747	2.2134	2.1563	1.0846	4.2106	4.1942	2.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.995	N1	C2	H7	122.334
N1	C3	C5	105.012	N1	C3	H8	122.225
C2	N1	C3	107.227	C2	N1	H6	126.458
C2	N4	C5	104.761	C3	N1	H6	126.314
C3	C5	N4	111.005	C3	C5	H9	127.961
N4	C2	H7	125.671	N4	C5	H9	121.034
C5	C3	H8	132.763

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/6-31G*

States and conformations

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