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	hartrees
Energy at 0K	-303.445853
Energy at 298.15K	-303.455967
HF Energy	-302.162807
Nuclear repulsion energy	249.774441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3652	3475	37.91
2	A	3193	3038	9.00
3	A	3159	3005	5.78
4	A	3084	2934	5.08
5	A	1776	1689	266.90
6	A	1551	1476	10.33
7	A	1518	1444	0.13
8	A	1488	1416	6.67
9	A	1466	1395	7.07
10	A	1220	1161	0.74
11	A	1193	1135	0.76
12	A	1158	1102	5.06
13	A	937	892	2.17
14	A	541	515	63.69
15	A	411	391	58.78
16	A	220	210	5.06
17	A	189	180	0.20
18	A	113	107	0.13
19	B	3650	3472	12.18
20	B	3193	3038	4.30
21	B	3159	3006	29.85
22	B	3083	2933	85.54
23	B	1578	1501	371.16
24	B	1536	1462	16.93
25	B	1514	1440	61.48
26	B	1467	1396	16.64
27	B	1286	1223	191.50
28	B	1172	1115	22.68
29	B	1155	1099	0.06
30	B	1067	1015	1.20
31	B	784	746	17.31
32	B	734	698	21.35
33	B	473	450	100.48
34	B	310	295	44.89
35	B	127	121	7.31
36	B	123	117	3.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.081
O2	0.000	0.000	1.301
N3	0.000	1.153	-0.667
N4	0.000	-1.153	-0.667
C5	-0.214	2.404	0.029
C6	0.214	-2.404	0.029
H7	-0.414	1.077	-1.579
H8	0.414	-1.077	-1.579
H9	-0.104	3.218	-0.680
H10	0.104	-3.218	-0.680
H11	0.535	2.510	0.805
H12	-0.535	-2.510	0.805
H13	-1.196	2.458	0.497
H14	1.196	-2.458	0.497

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2203	1.3743	1.3743	2.4138	2.4138	2.0213	2.0213	3.3081	3.3081	2.6663	2.6663	2.7648	2.7648
O2	1.2203		2.2809	2.2809	2.7280	2.7280	3.1026	3.1026	3.7800	3.7800	2.6137	2.6137	2.8493	2.8493
N3	1.3743	2.2809		2.3064	1.4470	3.6307	1.0046	2.4448	2.0672	4.3723	2.0717	3.9836	2.1179	3.9778
N4	1.3743	2.2809	2.3064		3.6307	1.4470	2.4448	1.0046	4.3723	2.0672	3.9836	2.0717	3.9778	2.1179
C5	2.4138	2.7280	1.4470	3.6307		4.8265	2.0942	3.8852	1.0850	5.6749	1.0836	4.9847	1.0888	5.0834
C6	2.4138	2.7280	3.6307	1.4470	4.8265		3.8852	2.0942	5.6749	1.0850	4.9847	1.0836	5.0834	1.0888
H7	2.0213	3.1026	1.0046	2.4448	2.0942	3.8852		2.3073	2.3425	4.4183	2.9386	4.3084	2.6127	4.4037
H8	2.0213	3.1026	2.4448	1.0046	3.8852	2.0942	2.3073		4.4183	2.3425	4.3084	2.9386	4.4037	2.6127
H9	3.3081	3.7800	2.0672	4.3723	1.0850	5.6749	2.3425	4.4183		6.4389	1.7645	5.9325	1.7757	5.9402
H10	3.3081	3.7800	4.3723	2.0672	5.6749	1.0850	4.4183	2.3425	6.4389		5.9325	1.7645	5.9402	1.7757
H11	2.6663	2.6137	2.0717	3.9836	1.0836	4.9847	2.9386	4.3084	1.7645	5.9325		5.1323	1.7589	5.0209
H12	2.6663	2.6137	3.9836	2.0717	4.9847	1.0836	4.3084	2.9386	5.9325	1.7645	5.1323		5.0209	1.7589
H13	2.7648	2.8493	2.1179	3.9778	1.0888	5.0834	2.6127	4.4037	1.7757	5.9402	1.7589	5.0209		5.4667
H14	2.7648	2.8493	3.9778	2.1179	5.0834	1.0888	4.4037	2.6127	5.9402	1.7757	5.0209	1.7589	5.4667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.621	C1	N3	H7	115.480
C1	N4	C6	117.621	C1	N4	H8	115.480
O2	C1	N3	122.951	O2	C1	N4	122.951
N3	C1	N4	114.098	N3	C5	H9	108.619
N3	C5	H11	109.056	N3	C5	H13	112.512
N4	C6	H10	108.619	N4	C6	H12	109.056
N4	C6	H14	112.512	C5	N3	H7	116.185
C6	N4	H8	116.185	H9	C5	H11	108.916
H9	C5	H13	109.548	H10	C6	H12	108.916
H10	C6	H14	109.548	H11	C5	H13	108.130
H12	C6	H14	108.130

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: MP2=FULL/aug-cc-pVTZ

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 NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)