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	hartrees
Energy at 0K	-413.864356
Energy at 298.15K
HF Energy	-412.601885
Nuclear repulsion energy	356.397372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3670	3479	118.94
2	A'	3622	3433	70.78
3	A'	3298	3126	1.63
4	A'	3258	3088	3.04
5	A'	1825	1730	747.51
6	A'	1785	1692	517.64
7	A'	1688	1600	25.21
8	A'	1515	1436	115.15
9	A'	1431	1356	20.98
10	A'	1419	1345	79.90
11	A'	1402	1329	54.00
12	A'	1246	1181	0.37
13	A'	1214	1151	134.05
14	A'	1098	1041	5.94
15	A'	993	941	7.55
16	A'	979	928	13.65
17	A'	773	732	3.79
18	A'	564	534	2.98
19	A'	542	514	7.56
20	A'	520	493	17.15
21	A'	388	368	19.76
22	A"	813	770	7.39
23	A"	713	676	66.10
24	A"	691	655	17.05
25	A"	579	548	2.23
26	A"	571	541	123.32
27	A"	432	409	12.83
28	A"	115	109	8.18
29	A"	58i	55i	0.51
30	A"	177i	168i	31.75

Atom	x (Å)	y (Å)
C1	1.268	0.389
C2	1.233	-1.061
N3	0.000	0.992
C4	0.053	-1.704
O5	2.287	1.068
N6	-1.140	-1.021
C7	-1.226	0.361
O8	-2.297	0.952
H9	2.176	-1.582
H10	-0.039	2.002
H11	-0.022	-2.783
H12	-2.026	-1.500

	C1	C2	N3	C4	O5	N6	C7	O8	H9	H10	H11	H12
C1		1.4511	1.4039	2.4207	1.2248	2.7908	2.4941	3.6085	2.1705	2.0758	3.4249	3.7975
C2	1.4511		2.3957	1.3443	2.3761	2.3740	2.8414	4.0637	1.0770	3.3174	2.1312	3.2891
N3	1.4039	2.3957		2.6974	2.2885	2.3142	1.3791	2.2970	3.3710	1.0108	3.7757	3.2123
C4	2.4207	1.3443	2.6974		3.5609	1.3750	2.4297	3.5462	2.1269	3.7080	1.0814	2.0893
O5	1.2248	2.3761	2.2885	3.5609		4.0143	3.5839	4.5854	2.6525	2.5066	4.4910	5.0203
N6	2.7908	2.3740	2.3142	1.3750	4.0143		1.3852	2.2868	3.3636	3.2182	2.0866	1.0071
C7	2.4941	2.8414	1.3791	2.4297	3.5839	1.3852		1.2225	3.9182	2.0258	3.3670	2.0261
O8	3.6085	4.0637	2.2970	3.5462	4.5854	2.2868	1.2225		5.1406	2.4905	4.3728	2.4666
H9	2.1705	1.0770	3.3710	2.1269	2.6525	3.3636	3.9182	5.1406		4.2135	2.5055	4.2034
H10	2.0758	3.3174	1.0108	3.7080	2.5066	3.2182	2.0258	2.4905	4.2135		4.7857	4.0273
H11	3.4249	2.1312	3.7757	1.0814	4.4910	2.0866	3.3670	4.3728	2.5055	4.7857		2.3794
H12	3.7975	3.2891	3.2123	2.0893	5.0203	1.0071	2.0261	2.4666	4.2034	4.0273	2.3794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.939	C1	C2	H9	117.544
C1	N3	C7	127.321	C1	N3	H10	117.636
C2	C1	N3	114.083	C2	C1	O5	125.019
C2	C4	N6	121.627	C2	C4	H11	122.580
N3	C1	O5	120.898	N3	C7	N6	113.683
N3	C7	O8	123.886	C4	C2	H9	122.517
C4	N6	C7	123.347	C4	N6	H12	121.817
N6	C4	H11	115.794	N6	C7	O8	122.432
C7	N3	H10	115.042	C7	N6	H12	114.835

All results from a given calculation for C₄H₄N₂O₂ (Uracil)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₄N₂O₂ (Uracil)