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	hartrees
Energy at 0K	-413.632589
Energy at 298.15K	-413.639476
HF Energy	-412.463960
Nuclear repulsion energy	355.371256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3657	3448	121.86
2	A'	3613	3407	76.41
3	A'	3306	3118	1.41
4	A'	3265	3079	3.86
5	A'	1864	1758	663.01
6	A'	1822	1718	416.41
7	A'	1710	1613	21.21
8	A'	1533	1446	135.09
9	A'	1447	1364	73.32
10	A'	1436	1354	42.22
11	A'	1411	1330	9.79
12	A'	1270	1198	3.48
13	A'	1236	1165	101.82
14	A'	1112	1049	9.29
15	A'	999	942	6.54
16	A'	989	933	8.18
17	A'	782	738	2.65
18	A'	561	529	4.31
19	A'	541	510	3.69
20	A'	518	488	17.45
21	A'	383	361	21.63
22	A"	920	867	3.66
23	A"	787	742	58.55
24	A"	725	684	67.96
25	A"	709	669	95.08
26	A"	686	647	11.67
27	A"	559	527	56.27
28	A"	371	350	32.93
29	A"	159	150	1.08
30	A"	134	126	0.00

Atom	x (Å)	y (Å)
C1	1.272	0.389
C2	1.237	-1.063
N3	0.000	0.990
C4	0.054	-1.709
O5	2.296	1.073
N6	-1.141	-1.022
C7	-1.231	0.362
O8	-2.307	0.955
H9	2.185	-1.584
H10	-0.038	2.004
H11	-0.023	-2.791
H12	-2.033	-1.500

	C1	C2	N3	C4	O5	N6	C7	O8	H9	H10	H11	H12
C1		1.4530	1.4065	2.4262	1.2310	2.7959	2.5032	3.6238	2.1738	2.0791	3.4343	3.8070
C2	1.4530		2.3969	1.3484	2.3838	2.3793	2.8505	4.0790	1.0806	3.3216	2.1391	3.2997
N3	1.4065	2.3969		2.6989	2.2973	2.3130	1.3818	2.3077	3.3755	1.0149	3.7809	3.2141
C4	2.4262	1.3484	2.6989		3.5728	1.3783	2.4370	3.5594	2.1345	3.7137	1.0852	2.0973
O5	1.2310	2.3838	2.2973	3.5728		4.0254	3.5978	4.6047	2.6588	2.5127	4.5066	5.0358
N6	2.7959	2.3793	2.3130	1.3783	4.0254		1.3871	2.2952	3.3731	3.2209	2.0929	1.0116
C7	2.5032	2.8505	1.3818	2.4370	3.5978	1.3871		1.2287	3.9309	2.0294	3.3768	2.0273
O8	3.6238	4.0790	2.3077	3.5594	4.6047	2.2952	1.2287		5.1596	2.5001	4.3876	2.4698
H9	2.1738	1.0806	3.3755	2.1345	2.6588	3.3731	3.9309	5.1596		4.2201	2.5164	4.2186
H10	2.0791	3.3216	1.0149	3.7137	2.5127	3.2209	2.0294	2.5001	4.2201		4.7951	4.0318
H11	3.4343	2.1391	3.7809	1.0852	4.5066	2.0929	3.3768	4.3876	2.5164	4.7951		2.3892
H12	3.8070	3.2997	3.2141	2.0973	5.0358	1.0116	2.0273	2.4698	4.2186	4.0318	2.3892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.968	C1	C2	H9	117.432
C1	N3	C7	127.732	C1	N3	H10	117.406
C2	C1	N3	113.898	C2	C1	O5	125.087
C2	C4	N6	121.515	C2	C4	H11	122.668
N3	C1	O5	121.014	N3	C7	N6	113.304
N3	C7	O8	124.150	C4	C2	H9	122.600
C4	N6	C7	123.583	C4	N6	H12	121.952
N6	C4	H11	115.817	N6	C7	O8	122.546
C7	N3	H10	114.862	C7	N6	H12	114.466

All results from a given calculation for C₄H₄N₂O₂ (Uracil)

using model chemistry: MP2/6-31G*

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 C4H4N2O2 (Uracil)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂O₂ (Uracil)