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	hartrees
Energy at 0K	-414.104081
Energy at 298.15K	-414.111080
HF Energy	-412.636291
Nuclear repulsion energy	357.099392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3671	3493	124.52
2	A'	3618	3443	77.46
3	A'	3292	3132	2.39
4	A'	3249	3091	2.34
5	A'	1818	1730	724.11
6	A'	1781	1695	512.10
7	A'	1684	1603	23.19
8	A'	1512	1439	125.73
9	A'	1428	1358	59.63
10	A'	1414	1346	52.77
11	A'	1392	1324	9.11
12	A'	1248	1187	8.63
13	A'	1214	1155	109.32
14	A'	1096	1043	6.53
15	A'	993	945	7.70
16	A'	977	930	11.06
17	A'	775	737	3.50
18	A'	559	532	3.04
19	A'	538	512	6.39
20	A'	516	491	17.58
21	A'	386	367	20.46
22	A"	957	911	0.68
23	A"	811	772	53.34
24	A"	758	721	33.34
25	A"	731	695	7.33
26	A"	688	655	81.00
27	A"	561	533	38.62
28	A"	392	373	25.12
29	A"	161	153	0.32
30	A"	144	137	0.86

Atom	x (Å)	y (Å)
C1	1.269	0.392
C2	1.237	-1.060
N3	0.000	0.982
C4	0.053	-1.704
O5	2.274	1.084
N6	-1.136	-1.023
C7	-1.227	0.357
O8	-2.291	0.948
H9	2.174	-1.588
H10	-0.031	1.993
H11	-0.027	-2.780
H12	-2.019	-1.506

	C1	C2	N3	C4	O5	N6	C7	O8	H9	H10	H11	H12
C1		1.4519	1.3999	2.4228	1.2204	2.7905	2.4968	3.6035	2.1771	2.0623	3.4267	3.7963
C2	1.4519		2.3873	1.3472	2.3816	2.3730	2.8420	4.0590	1.0761	3.3050	2.1346	3.2858
N3	1.3999	2.3873		2.6869	2.2766	2.3048	1.3777	2.2914	3.3667	1.0106	3.7629	3.2042
C4	2.4228	1.3472	2.6869		3.5643	1.3707	2.4261	3.5397	2.1236	3.6974	1.0794	2.0817
O5	1.2204	2.3816	2.2766	3.5643		4.0088	3.5765	4.5676	2.6742	2.4781	4.4975	5.0138
N6	2.7905	2.3730	2.3048	1.3707	4.0088		1.3825	2.2843	3.3580	3.2115	2.0784	1.0061
C7	2.4968	2.8420	1.3777	2.4261	3.5765	1.3825		1.2171	3.9181	2.0267	3.3589	2.0236
O8	3.6035	4.0590	2.2914	3.5397	4.5676	2.2843	1.2171		5.1351	2.4898	4.3621	2.4688
H9	2.1771	1.0761	3.3667	2.1236	2.6742	3.3580	3.9181	5.1351		4.2053	2.5026	4.1935
H10	2.0623	3.3050	1.0106	3.6974	2.4781	3.2115	2.0267	2.4898	4.2053		4.7729	4.0236
H11	3.4267	2.1346	3.7629	1.0794	4.4975	2.0784	3.3589	4.3621	2.5026	4.7729		2.3650
H12	3.7963	3.2858	3.2042	2.0817	5.0138	1.0061	2.0236	2.4688	4.1935	4.0236	2.3650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.854	C1	C2	H9	118.140
C1	N3	C7	128.028	C1	N3	H10	116.719
C2	C1	N3	113.667	C2	C1	O5	125.835
C2	C4	N6	121.642	C2	C4	H11	122.822
N3	C1	O5	120.497	N3	C7	N6	113.234
N3	C7	O8	123.915	C4	C2	H9	122.006
C4	N6	C7	123.574	C4	N6	H12	121.523
N6	C4	H11	115.537	N6	C7	O8	122.851
C7	N3	H10	115.252	C7	N6	H12	114.903

All results from a given calculation for C₄H₄N₂O₂ (Uracil)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₄N₂O₂ (Uracil)