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	hartrees
Energy at 0K	-303.107210
Energy at 298.15K	-303.117453
HF Energy	-302.087021
Nuclear repulsion energy	247.289765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3638	3509	27.50
2	A	3170	3058	14.43
3	A	3132	3020	9.17
4	A	3050	2941	5.80
5	A	1796	1732	297.68
6	A	1528	1474	17.65
7	A	1493	1440	0.73
8	A	1483	1430	1.71
9	A	1452	1400	3.91
10	A	1214	1171	0.11
11	A	1188	1146	1.02
12	A	1144	1103	5.90
13	A	934	901	0.74
14	A	553	533	100.75
15	A	441	426	44.26
16	A	223	215	4.92
17	A	198	191	0.23
18	A	128	123	0.79
19	B	3636	3507	10.42
20	B	3170	3058	8.01
21	B	3132	3021	43.58
22	B	3049	2941	92.59
23	B	1584	1528	396.37
24	B	1506	1453	0.15
25	B	1484	1432	38.40
26	B	1456	1404	5.90
27	B	1288	1242	207.24
28	B	1165	1124	13.91
29	B	1150	1109	11.00
30	B	1058	1020	1.46
31	B	782	755	27.61
32	B	740	714	22.30
33	B	488	471	91.01
34	B	317	306	43.60
35	B	147	142	0.77
36	B	125	120	7.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.084
O2	0.000	0.000	1.309
N3	0.000	1.166	-0.675
N4	0.000	-1.166	-0.675
C5	-0.253	2.424	0.030
C6	0.253	-2.424	0.030
H7	-0.453	1.076	-1.576
H8	0.453	-1.076	-1.576
H9	-0.144	3.252	-0.687
H10	0.144	-3.252	-0.687
H11	0.492	2.545	0.829
H12	-0.492	-2.545	0.829
H13	-1.258	2.461	0.486
H14	1.258	-2.461	0.486

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2247	1.3910	1.3910	2.4382	2.4382	2.0302	2.0302	3.3455	3.3455	2.6965	2.6965	2.7931	2.7931
O2	1.2247		2.3008	2.3008	2.7529	2.7529	3.1129	3.1129	3.8187	3.8187	2.6360	2.6360	2.8839	2.8839
N3	1.3910	2.3008		2.3314	1.4646	3.6674	1.0132	2.4585	2.0914	4.4202	2.0984	4.0334	2.1468	4.0106
N4	1.3910	2.3008	2.3314		3.6674	1.4646	2.4585	1.0132	4.4202	2.0914	4.0334	2.0984	4.0106	2.1468
C5	2.4382	2.7529	1.4646	3.6674		4.8753	2.1069	3.9157	1.1005	5.7355	1.0988	5.0386	1.1046	5.1343
C6	2.4382	2.7529	3.6674	1.4646	4.8753		3.9157	2.1069	5.7355	1.1005	5.0386	1.0988	5.1343	1.1046
H7	2.0302	3.1129	1.0132	2.4585	2.1069	3.9157		2.3351	2.3708	4.4588	2.9722	4.3469	2.6119	4.4379
H8	2.0302	3.1129	2.4585	1.0132	3.9157	2.1069	2.3351		4.4588	2.3708	4.3469	2.9722	4.4379	2.6119
H9	3.3455	3.8187	2.0914	4.4202	1.1005	5.7355	2.3708	4.4588		6.5106	1.7899	6.0018	1.8009	5.9988
H10	3.3455	3.8187	4.4202	2.0914	5.7355	1.1005	4.4588	2.3708	6.5106		6.0018	1.7899	5.9988	1.8009
H11	2.6965	2.6360	2.0984	4.0334	1.0988	5.0386	2.9722	4.3469	1.7899	6.0018		5.1837	1.7854	5.0756
H12	2.6965	2.6360	4.0334	2.0984	5.0386	1.0988	4.3469	2.9722	6.0018	1.7899	5.1837		5.0756	1.7854
H13	2.7931	2.8839	2.1468	4.0106	1.1046	5.1343	2.6119	4.4379	1.8009	5.9988	1.7854	5.0756		5.5282
H14	2.7931	2.8839	4.0106	2.1468	5.1343	1.1046	4.4379	2.6119	5.9988	1.8009	5.0756	1.7854	5.5282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.244	C1	N3	H7	114.308
C1	N4	C6	117.244	C1	N4	H8	114.308
O2	C1	N3	123.069	O2	C1	N4	123.069
N3	C1	N4	113.861	N3	C5	H9	108.410
N3	C5	H11	109.061	N3	C5	H13	112.607
N4	C6	H10	108.410	N4	C6	H12	109.061
N4	C6	H14	112.607	C5	N3	H7	115.282
C6	N4	H8	115.282	H9	C5	H11	108.945
H9	C5	H13	109.506	H10	C6	H12	108.945
H10	C6	H14	109.506	H11	C5	H13	108.254
H12	C6	H14	108.254

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

using model chemistry: CCD/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 NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: CCD/aug-cc-pVDZ

States and conformations

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