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	hartrees
Energy at 0K	-225.660007
Energy at 298.15K	-225.665889
HF Energy	-224.842974
Nuclear repulsion energy	161.263103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3648	3564
2	A'	3291	3215
3	A'	3265	3189
4	A'	3263	3187
5	A'	1562	1526
6	A'	1520	1485
7	A'	1467	1433
8	A'	1378	1346
9	A'	1288	1259
10	A'	1169	1142
11	A'	1162	1135
12	A'	1113	1087
13	A'	1088	1063
14	A'	935	914
15	A'	898	878
16	A"	803	784
17	A"	770	752
18	A"	682	667
19	A"	670	655
20	A"	625	610
21	A"	474	463

Atom	x (Å)	y (Å)
N1	0.000	1.116
C2	-1.102	0.287
C3	1.132	0.307
N4	-0.752	-1.001
C5	0.643	-0.995
H6	-0.013	2.130
H7	-2.122	0.672
H8	2.141	0.719
H9	1.214	-1.924

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3788	1.3912	2.2468	2.2071	1.0138	2.1678	2.1776	3.2738
C2	1.3788		2.2338	1.3349	2.1652	2.1405	1.0906	3.2712	3.2021
C3	1.3912	2.2338		2.2936	1.3913	2.1522	3.2743	1.0895	2.2330
N4	2.2468	1.3349	2.2936		1.3948	3.2170	2.1629	3.3653	2.1719
C5	2.2071	2.1652	1.3913	1.3948		3.1931	3.2289	2.2761	1.0906
H6	1.0138	2.1405	2.1522	3.2170	3.1931		2.5638	2.5749	4.2356
H7	2.1678	1.0906	3.2743	2.1629	3.2289	2.5638		4.2631	4.2276
H8	2.1776	3.2712	1.0895	3.3653	2.2761	2.5749	4.2631		2.8003
H9	3.2738	3.2021	2.2330	2.1719	1.0906	4.2356	4.2276	2.8003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.766	N1	C2	H7	122.346
N1	C3	C5	104.966	N1	C3	H8	122.286
C2	N1	C3	107.492	C2	N1	H6	126.244
C2	N4	C5	104.952	C3	N1	H6	126.263
C3	C5	N4	110.824	C3	C5	H9	127.828
N4	C2	H7	125.888	N4	C5	H9	121.348
C5	C3	H8	132.748

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

using model chemistry: MP4/aug-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/aug-cc-pVDZ

States and conformations

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