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	hartrees
Energy at 0K	-225.595739
Energy at 298.15K	-225.601594
HF Energy	-224.810422
Nuclear repulsion energy	162.416204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3649	3509
2	A'	3293	3166
3	A'	3266	3140
4	A'	3263	3138
5	A'	1565	1505
6	A'	1523	1464
7	A'	1469	1413
8	A'	1381	1328
9	A'	1290	1241
10	A'	1171	1126
11	A'	1164	1119
12	A'	1115	1072
13	A'	1090	1048
14	A'	937	901
15	A'	900	866
16	A"	809	778
17	A"	776	746
18	A"	687	661
19	A"	674	648
20	A"	629	605
21	A"	484	466

Atom	x (Å)	y (Å)
N1	0.000	1.109
C2	-1.093	0.283
C3	1.124	0.304
N4	-0.747	-0.995
C5	0.639	-0.985
H6	-0.011	2.122
H7	-2.109	0.665
H8	2.126	0.713
H9	1.204	-1.911

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3699	1.3826	2.2324	2.1892	1.0132	2.1551	2.1629	3.2508
C2	1.3699		2.2169	1.3242	2.1465	2.1338	1.0852	3.2479	3.1764
C3	1.3826	2.2169		2.2769	1.3767	2.1433	3.2528	1.0829	2.2156
N4	2.2324	1.3242	2.2769		1.3855	3.2027	2.1473	3.3422	2.1549
C5	2.1892	2.1465	1.3767	1.3855		3.1742	3.2050	2.2573	1.0846
H6	1.0132	2.1338	2.1433	3.2027	3.1742		2.5546	2.5598	4.2117
H7	2.1551	1.0852	3.2528	2.1473	3.2050	2.5546		4.2355	4.1963
H8	2.1629	3.2479	1.0829	3.3422	2.2573	2.5598	4.2355		2.7809
H9	3.2508	3.1764	2.2156	2.1549	1.0846	4.2117	4.1963	2.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.904	N1	C2	H7	122.336
N1	C3	C5	105.006	N1	C3	H8	122.165
C2	N1	C3	107.301	C2	N1	H6	126.470
C2	N4	C5	104.754	C3	N1	H6	126.229
C3	C5	N4	111.034	C3	C5	H9	127.970
N4	C2	H7	125.759	N4	C5	H9	120.995
C5	C3	H8	132.829

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

using model chemistry: MP4=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: MP4=FULL/6-31G*

States and conformations

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