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	hartrees
Energy at 0K	-225.509350
Energy at 298.15K	-225.515290
HF Energy	-224.738915
Nuclear repulsion energy	165.382016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3246	3094
2	A₁	3091	2946
3	A₁	1707	1627
4	A₁	1429	1362
5	A₁	1392	1327
6	A₁	1267	1208
7	A₁	1030	981
8	A₁	918	875
9	A₂	1146	1092
10	A₂	871	830
11	A₂	517	493
12	B₁	3146	2999
13	B₁	1008	961
14	B₁	808	770
15	B₁	335	320
16	B₂	3230	3079
17	B₂	1760	1678
18	B₂	1410	1343
19	B₂	1234	1176
20	B₂	1084	1033
21	B₂	927	884

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.215
N2	0.000	0.998	0.285
N3	0.000	-0.998	0.285
C4	0.000	0.735	-0.958
C5	0.000	-0.735	-0.958
H6	-0.905	0.000	1.847
H7	0.905	0.000	1.847
H8	0.000	1.499	-1.741
H9	0.000	-1.499	-1.741

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3643	1.3643	2.2938	2.2938	1.1037	1.1037	3.3147	3.3147
N2	1.3643		1.9952	1.2696	2.1318	2.0630	2.0630	2.0868	3.2151
N3	1.3643	1.9952		2.1318	1.2696	2.0630	2.0630	3.2151	2.0868
C4	2.2938	1.2696	2.1318		1.4698	3.0375	3.0375	1.0945	2.3675
C5	2.2938	2.1318	1.2696	1.4698		3.0375	3.0375	2.3675	1.0945
H6	1.1037	2.0630	2.0630	3.0375	3.0375		1.8095	3.9928	3.9928
H7	1.1037	2.0630	2.0630	3.0375	3.0375	1.8095		3.9928	3.9928
H8	3.3147	2.0868	3.2151	1.0945	2.3675	3.9928	3.9928		2.9985
H9	3.3147	3.2151	2.0868	2.3675	1.0945	3.9928	3.9928	2.9985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.071	C1	N3	C5	121.071
N2	C1	N3	93.974	N2	C1	H6	112.996
N2	C1	H7	112.996	N2	C4	C5	101.942
N2	C4	H8	123.765	N3	C1	H6	112.996
N3	C1	H7	112.996	N3	C5	C4	101.942
N3	C5	H9	123.765	C4	C5	H9	134.293
C5	C4	H8	134.293	H6	C1	H7	110.123

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)

using model chemistry: QCISD(T)/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 (2H-Imidazole)

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

States and conformations

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)