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	hartrees
Energy at 0K	-303.160614
Energy at 298.15K	-303.170905
HF Energy	-302.107899
Nuclear repulsion energy	248.647996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3462	20.30
2	A	3219	3048	10.84
3	A	3170	3002	9.26
4	A	3078	2915	4.88
5	A	1819	1723	221.33
6	A	1566	1483	17.45
7	A	1535	1454	0.15
8	A	1513	1433	4.13
9	A	1489	1411	6.70
10	A	1229	1164	0.07
11	A	1200	1136	0.46
12	A	1165	1104	8.46
13	A	943	893	0.42
14	A	592	561	147.35
15	A	464	439	30.86
16	A	231	219	3.33
17	A	201	190	0.17
18	A	118	112	0.36
19	B	3653	3460	11.58
20	B	3219	3048	7.40
21	B	3170	3003	46.73
22	B	3078	2915	99.39
23	B	1597	1512	352.01
24	B	1548	1466	9.82
25	B	1527	1446	76.82
26	B	1493	1414	6.57
27	B	1290	1222	214.17
28	B	1179	1117	26.48
29	B	1169	1107	6.60
30	B	1074	1017	0.76
31	B	781	740	45.07
32	B	752	712	18.98
33	B	522	494	112.16
34	B	327	310	42.90
35	B	130	123	3.44
36	B	126	120	4.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.091
O2	0.000	0.000	1.311
N3	0.000	1.157	-0.674
N4	0.000	-1.157	-0.674
C5	-0.245	2.409	0.025
C6	0.245	-2.409	0.025
H7	-0.460	1.068	-1.567
H8	0.460	-1.068	-1.567
H9	-0.059	3.235	-0.662
H10	0.059	-3.235	-0.662
H11	0.445	2.483	0.862
H12	-0.445	-2.483	0.862
H13	-1.264	2.483	0.419
H14	1.264	-2.483	0.419

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2198	1.3872	1.3872	2.4226	2.4226	2.0250	2.0250	3.3222	3.3222	2.6374	2.6374	2.8057	2.8057
O2	1.2198		2.2975	2.2975	2.7421	2.7421	3.1037	3.1037	3.7898	3.7898	2.5619	2.5619	2.9259	2.9259
N3	1.3872	2.2975		2.3146	1.4544	3.6425	1.0087	2.4412	2.0788	4.3929	2.0768	3.9756	2.1329	4.0056
N4	1.3872	2.2975	2.3146		3.6425	1.4544	2.4412	1.0087	4.3929	2.0788	3.9756	2.0768	4.0056	2.1329
C5	2.4226	2.7421	1.4544	3.6425		4.8433	2.0926	3.8883	1.0901	5.6942	1.0875	4.9670	1.0948	5.1351
C6	2.4226	2.7421	3.6425	1.4544	4.8433		3.8883	2.0926	5.6942	1.0901	4.9670	1.0875	5.1351	1.0948
H7	2.0250	3.1037	1.0087	2.4412	2.0926	3.8883		2.3253	2.3830	4.4275	2.9531	4.3015	2.5675	4.4186
H8	2.0250	3.1037	2.4412	1.0087	3.8883	2.0926	2.3253		4.4275	2.3830	4.3015	2.9531	4.4186	2.5675
H9	3.3222	3.7898	2.0788	4.3929	1.0901	5.6942	2.3830	4.4275		6.4715	1.7727	5.9300	1.7846	5.9682
H10	3.3222	3.7898	4.3929	2.0788	5.6942	1.0901	4.4275	2.3830	6.4715		5.9300	1.7727	5.9682	1.7846
H11	2.6374	2.5619	2.0768	3.9756	1.0875	4.9670	2.9531	4.3015	1.7727	5.9300		5.0445	1.7655	5.0526
H12	2.6374	2.5619	3.9756	2.0768	4.9670	1.0875	4.3015	2.9531	5.9300	1.7727	5.0445		5.0526	1.7655
H13	2.8057	2.9259	2.1329	4.0056	1.0948	5.1351	2.5675	4.4186	1.7846	5.9682	1.7655	5.0526		5.5730
H14	2.8057	2.9259	4.0056	2.1329	5.1351	1.0948	4.4186	2.5675	5.9682	1.7846	5.0526	1.7655	5.5730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.956	C1	N3	H7	114.456
C1	N4	C6	116.956	C1	N4	H8	114.456
O2	C1	N3	123.464	O2	C1	N4	123.464
N3	C1	N4	113.073	N3	C5	H9	108.724
N3	C5	H11	108.715	N3	C5	H13	112.828
N4	C6	H10	108.724	N4	C6	H12	108.715
N4	C6	H14	112.828	C5	N3	H7	115.135
C6	N4	H8	115.135	H9	C5	H11	108.981
H9	C5	H13	109.530	H10	C6	H12	108.981
H10	C6	H14	109.530	H11	C5	H13	107.996
H12	C6	H14	107.996

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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