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	hartrees
Energy at 0K	-301.003869
Energy at 298.15K	-301.013574
HF Energy	-300.359769
Nuclear repulsion energy	245.165989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3588	3449	21.62
2	A	3134	3012	1.60
3	A	3054	2935	0.00
4	A	3012	2895	1.62
5	A	1708	1641	119.10
6	A	1599	1537	28.90
7	A	1588	1526	0.00
8	A	1530	1470	21.80
9	A	1477	1419	63.50
10	A	1203	1156	6.59
11	A	1179	1133	0.00
12	A	1167	1122	2.56
13	A	915	880	5.98
14	A	504	485	1.90
15	A	244	235	0.83
16	A	210	202	0.00
17	A	167	161	0.00
18	A	30	28	0.00
19	B	3581	3441	6.46
20	B	3134	3012	0.04
21	B	3054	2935	100.23
22	B	3011	2894	123.93
23	B	1610	1548	62.78
24	B	1589	1527	10.76
25	B	1550	1490	315.01
26	B	1491	1433	9.95
27	B	1252	1204	378.20
28	B	1186	1139	3.45
29	B	1179	1133	47.39
30	B	1023	984	3.16
31	B	755	726	38.36
32	B	711	683	7.93
33	B	474	456	330.49
34	B	382	367	36.13
35	B	145	139	4.85
36	B	104	100	16.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.091
O2	0.000	0.000	1.345
N3	0.000	1.166	-0.665
N4	0.000	-1.166	-0.665
C5	-0.000	2.478	0.012
C6	0.000	-2.478	0.012
H7	0.001	1.129	-1.677
H8	-0.001	-1.129	-1.677
H9	0.896	3.063	-0.242
H10	-0.896	-3.063	-0.242
H11	-0.001	2.262	1.086
H12	0.001	-2.262	1.086
H13	-0.897	3.063	-0.243
H14	0.897	-3.063	-0.243

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2544	1.3894	1.3894	2.4793	2.4793	2.0976	2.0976	3.2088	3.2088	2.4710	2.4710	3.2092	3.2092
O2	1.2544		2.3237	2.3237	2.8139	2.8139	3.2262	3.2262	3.5643	3.5643	2.2766	2.2766	3.5652	3.5652
N3	1.3894	2.3237		2.3321	1.4763	3.7064	1.0128	2.5087	2.1404	4.3437	2.0652	3.8490	2.1403	4.3438
N4	1.3894	2.3237	2.3321		3.7064	1.4763	2.5087	1.0128	4.3437	2.1404	3.8490	2.0652	4.3438	2.1403
C5	2.4793	2.8139	1.4763	3.7064		4.9561	2.1613	3.9832	1.1005	5.6188	1.0953	4.8599	1.1005	5.6192
C6	2.4793	2.8139	3.7064	1.4763	4.9561		3.9832	2.1613	5.6188	1.1005	4.8599	1.0953	5.6192	1.1005
H7	2.0976	3.2262	1.0128	2.5087	2.1613	3.9832		2.2588	2.5690	4.5213	2.9857	4.3741	2.5692	4.5205
H8	2.0976	3.2262	2.5087	1.0128	3.9832	2.1613	2.2588		4.5213	2.5690	4.3741	2.9857	4.5205	2.5692
H9	3.2088	3.5643	2.1404	4.3437	1.1005	5.6188	2.5690	4.5213		6.3831	1.7918	5.5604	1.7931	6.1263
H10	3.2088	3.5643	4.3437	2.1404	5.6188	1.1005	4.5213	2.5690	6.3831		5.5604	1.7918	6.1263	1.7931
H11	2.4710	2.2766	2.0652	3.8490	1.0953	4.8599	2.9857	4.3741	1.7918	5.5604		4.5236	1.7918	5.5614
H12	2.4710	2.2766	3.8490	2.0652	4.8599	1.0953	4.3741	2.9857	5.5604	1.7918	4.5236		5.5614	1.7918
H13	3.2092	3.5652	2.1403	4.3438	1.1005	5.6192	2.5692	4.5205	1.7931	6.1263	1.7918	5.5614		6.3836
H14	3.2092	3.5652	4.3438	2.1403	5.6192	1.1005	4.5205	2.5692	6.1263	1.7931	5.5614	1.7918	6.3836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.773	C1	N3	H7	120.864
C1	N4	C6	119.773	C1	N4	H8	120.864
O2	C1	N3	122.938	O2	C1	N4	122.938
N3	C1	N4	114.123	N3	C5	H9	111.500
N3	C5	H11	105.902	N3	C5	H13	111.496
N4	C6	H10	111.500	N4	C6	H12	105.902
N4	C6	H14	111.496	C5	N3	H7	119.363
C6	N4	H8	119.363	H9	C5	H11	109.375
H9	C5	H13	109.115	H10	C6	H12	109.375
H10	C6	H14	109.115	H11	C5	H13	109.381
H12	C6	H14	109.381

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

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

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