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	hartrees
Energy at 0K	-225.626276
Energy at 298.15K	-225.632174
HF Energy	-224.831353
Nuclear repulsion energy	161.707330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3671	3543
2	A'	3299	3184
3	A'	3271	3157
4	A'	3268	3154
5	A'	1544	1490
6	A'	1510	1457
7	A'	1460	1409
8	A'	1362	1314
9	A'	1265	1221
10	A'	1165	1124
11	A'	1138	1098
12	A'	1089	1051
13	A'	1071	1034
14	A'	925	892
15	A'	890	859
16	A"	834	805
17	A"	795	767
18	A"	707	682
19	A"	674	650
20	A"	636	613
21	A"	485	468

Atom	x (Å)	y (Å)
N1	0.000	1.114
C2	-1.095	0.284
C3	1.128	0.309
N4	-0.750	-1.002
C5	0.639	-0.991
H6	-0.013	2.128
H7	-2.116	0.671
H8	2.136	0.722
H9	1.213	-1.919

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3744	1.3862	2.2451	2.2001	1.0141	2.1615	2.1718	3.2669
C2	1.3744		2.2229	1.3304	2.1516	2.1388	1.0917	3.2606	3.1901
C3	1.3862	2.2229		2.2902	1.3887	2.1477	3.2636	1.0897	2.2293
N4	2.2451	1.3304	2.2902		1.3892	3.2157	2.1587	3.3621	2.1671
C5	2.2001	2.1516	1.3887	1.3892		3.1866	3.2167	2.2754	1.0913
H6	1.0141	2.1388	2.1477	3.2157	3.1866		2.5586	2.5680	4.2289
H7	2.1615	1.0917	3.2636	2.1587	3.2167	2.5586		4.2519	4.2172
H8	2.1718	3.2606	1.0897	3.3621	2.2754	2.5680	4.2519		2.7980
H9	3.2669	3.1901	2.2293	2.1671	1.0913	4.2289	4.2172	2.7980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.195	N1	C2	H7	122.029
N1	C3	C5	104.910	N1	C3	H8	122.155
C2	N1	C3	107.267	C2	N1	H6	126.478
C2	N4	C5	104.562	C3	N1	H6	126.255
C3	C5	N4	111.065	C3	C5	H9	127.631
N4	C2	H7	125.775	N4	C5	H9	121.304
C5	C3	H8	132.934

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

using model chemistry: MP4=FULL/cc-pVDZ

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: MP4=FULL/cc-pVDZ

States and conformations

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