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	hartrees
Energy at 0K	-225.656543
Energy at 298.15K	-225.662426
HF Energy	-224.843517
Nuclear repulsion energy	161.371814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3656	3575
2	A'	3280	3207
3	A'	3257	3184
4	A'	3252	3180
5	A'	1538	1504
6	A'	1490	1457
7	A'	1439	1407
8	A'	1348	1318
9	A'	1259	1231
10	A'	1137	1112
11	A'	1131	1106
12	A'	1084	1060
13	A'	1059	1035
14	A'	923	902
15	A'	886	866
16	A"	829	811
17	A"	798	781
18	A"	706	690
19	A"	660	645
20	A"	622	608
21	A"	489	478

Atom	x (Å)	y (Å)
N1	0.000	1.116
C2	-1.100	0.286
C3	1.132	0.306
N4	-0.753	-0.999
C5	0.643	-0.994
H6	-0.014	2.129
H7	-2.120	0.671
H8	2.142	0.714
H9	1.214	-1.924

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3779	1.3923	2.2447	2.2060	1.0129	2.1666	2.1791	3.2729
C2	1.3779		2.2323	1.3311	2.1631	2.1389	1.0904	3.2701	3.1995
C3	1.3923	2.2323		2.2922	1.3886	2.1534	3.2729	1.0893	2.2306
N4	2.2447	1.3311	2.2922		1.3962	3.2137	2.1583	3.3636	2.1732
C5	2.2060	2.1631	1.3886	1.3962		3.1913	3.2266	2.2726	1.0905
H6	1.0129	2.1389	2.1534	3.2137	3.1913		2.5618	2.5782	4.2341
H7	2.1666	1.0904	3.2729	2.1583	3.2266	2.5618		4.2624	4.2247
H8	2.1791	3.2701	1.0893	3.3636	2.2726	2.5782	4.2624		2.7964
H9	3.2729	3.1995	2.2306	2.1732	1.0905	4.2341	4.2247	2.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.903	N1	C2	H7	122.314
N1	C3	C5	104.986	N1	C3	H8	122.361
C2	N1	C3	107.379	C2	N1	H6	126.247
C2	N4	C5	104.935	C3	N1	H6	126.374
C3	C5	N4	110.796	C3	C5	H9	127.844
N4	C2	H7	125.783	N4	C5	H9	121.359
C5	C3	H8	132.653

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVDZ

States and conformations

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