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	hartrees
Energy at 0K	-225.571925
Energy at 298.15K	-225.577854
HF Energy	-224.752137
Nuclear repulsion energy	165.140825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3250	3169
2	A₁	3079	3003
3	A₁	1657	1616
4	A₁	1412	1377
5	A₁	1378	1344
6	A₁	1251	1220
7	A₁	1023	998
8	A₁	907	885
9	A₂	1137	1109
10	A₂	867	845
11	A₂	521	508
12	B₁	3135	3058
13	B₁	996	971
14	B₁	800	780
15	B₁	335	326
16	B₂	3235	3154
17	B₂	1715	1672
18	B₂	1382	1347
19	B₂	1222	1192
20	B₂	1073	1047
21	B₂	919	896

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.219
N2	0.000	0.998	0.286
N3	0.000	-0.998	0.286
C4	0.000	0.735	-0.961
C5	0.000	-0.735	-0.961
H6	-0.906	0.000	1.847
H7	0.906	0.000	1.847
H8	0.000	1.498	-1.742
H9	0.000	-1.498	-1.742

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3655	1.3655	2.3004	2.3004	1.1023	1.1023	3.3182	3.3182
N2	1.3655		1.9954	1.2748	2.1351	2.0617	2.0617	2.0892	3.2162
N3	1.3655	1.9954		2.1351	1.2748	2.0617	2.0617	3.2162	2.0892
C4	2.3004	1.2748	2.1351		1.4702	3.0404	3.0404	1.0918	2.3658
C5	2.3004	2.1351	1.2748	1.4702		3.0404	3.0404	2.3658	1.0918
H6	1.1023	2.0617	2.0617	3.0404	3.0404		1.8119	3.9929	3.9929
H7	1.1023	2.0617	2.0617	3.0404	3.0404	1.8119		3.9929	3.9929
H8	3.3182	2.0892	3.2162	1.0918	2.3658	3.9929	3.9929		2.9964
H9	3.3182	3.2162	2.0892	2.3658	1.0918	3.9929	3.9929	2.9964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.171	C1	N3	C5	121.171
N2	C1	N3	93.880	N2	C1	H6	112.887
N2	C1	H7	112.887	N2	C4	C5	101.889
N2	C4	H8	123.771	N3	C1	H6	112.887
N3	C1	H7	112.887	N3	C5	C4	101.889
N3	C5	H9	123.771	C4	C5	H9	134.340
C5	C4	H8	134.340	H6	C1	H7	110.553

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

using model chemistry: MP4=FULL/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 (2H-Imidazole)

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

States and conformations

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