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	hartrees
Energy at 0K	-303.672322
Energy at 298.15K	-303.682457
HF Energy	-303.328375
Nuclear repulsion energy	248.233727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3632	3632	10.59
2	A	3187	3187	13.06
3	A	3131	3131	11.25
4	A	3049	3049	5.25
5	A	1788	1788	230.51
6	A	1562	1562	20.95
7	A	1529	1529	0.40
8	A	1509	1509	4.77
9	A	1478	1478	10.01
10	A	1215	1215	0.08
11	A	1190	1190	0.88
12	A	1160	1160	9.05
13	A	934	934	0.61
14	A	559	559	103.38
15	A	448	448	40.80
16	A	229	229	3.08
17	A	193	193	0.12
18	A	96	96	0.34
19	B	3629	3629	8.02
20	B	3187	3187	6.53
21	B	3131	3131	64.19
22	B	3048	3048	129.63
23	B	1590	1590	307.62
24	B	1542	1542	13.61
25	B	1520	1520	88.41
26	B	1482	1482	7.77
27	B	1275	1275	244.31
28	B	1174	1174	29.23
29	B	1162	1162	10.08
30	B	1055	1055	1.12
31	B	773	773	33.72
32	B	744	744	21.62
33	B	513	513	117.67
34	B	328	328	44.87
35	B	125	125	8.23
36	B	105	105	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.097
O2	0.000	0.000	1.317
N3	0.000	1.159	-0.665
N4	0.000	-1.159	-0.665
C5	-0.232	2.424	0.015
C6	0.232	-2.424	0.015
H7	-0.419	1.075	-1.578
H8	0.419	-1.075	-1.578
H9	0.053	3.240	-0.648
H10	-0.053	-3.240	-0.648
H11	0.389	2.459	0.906
H12	-0.389	-2.459	0.906
H13	-1.274	2.557	0.324
H14	1.274	-2.557	0.324

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2195	1.3867	1.3867	2.4367	2.4367	2.0334	2.0334	3.3255	3.3255	2.6177	2.6177	2.8655	2.8655
O2	1.2195		2.2951	2.2951	2.7613	2.7613	3.1155	3.1155	3.7900	3.7900	2.5233	2.5233	3.0240	3.0240
N3	1.3867	2.2951		2.3175	1.4550	3.6542	1.0081	2.4488	2.0824	4.3995	2.0756	3.9631	2.1341	4.0502
N4	1.3867	2.2951	2.3175		3.6542	1.4550	2.4488	1.0081	4.3995	2.0824	3.9631	2.0756	4.0502	2.1341
C5	2.4367	2.7613	1.4550	3.6542		4.8705	2.0958	3.8989	1.0897	5.7061	1.0864	4.9664	1.0947	5.2127
C6	2.4367	2.7613	3.6542	1.4550	4.8705		3.8989	2.0958	5.7061	1.0897	4.9664	1.0864	5.2127	1.0947
H7	2.0334	3.1155	1.0081	2.4488	2.0958	3.8989		2.3067	2.4035	4.4291	2.9557	4.3191	2.5580	4.4348
H8	2.0334	3.1155	2.4488	1.0081	3.8989	2.0958	2.3067		4.4291	2.4035	4.3191	2.9557	4.4348	2.5580
H9	3.3255	3.7900	2.0824	4.3995	1.0897	5.7061	2.4035	4.4291		6.4817	1.7717	5.9241	1.7813	6.0036
H10	3.3255	3.7900	4.3995	2.0824	5.7061	1.0897	4.4291	2.4035	6.4817		5.9241	1.7717	6.0036	1.7813
H11	2.6177	2.5233	2.0756	3.9631	1.0864	4.9664	2.9557	4.3191	1.7717	5.9241		4.9793	1.7641	5.1264
H12	2.6177	2.5233	3.9631	2.0756	4.9664	1.0864	4.3191	2.9557	5.9241	1.7717	4.9793		5.1264	1.7641
H13	2.8655	3.0240	2.1341	4.0502	1.0947	5.2127	2.5580	4.4348	1.7813	6.0036	1.7641	5.1264		5.7130
H14	2.8655	3.0240	4.0502	2.1341	5.2127	1.0947	4.4348	2.5580	6.0036	1.7813	5.1264	1.7641	5.7130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	118.052	C1	N3	H7	115.319
C1	N4	C6	118.052	C1	N4	H8	115.319
O2	C1	N3	123.317	O2	C1	N4	123.317
N3	C1	N4	113.366	N3	C5	H9	108.995
N3	C5	H11	108.645	N3	C5	H13	112.896
N4	C6	H10	108.995	N4	C6	H12	108.645
N4	C6	H14	112.896	C5	N3	H7	115.419
C6	N4	H8	115.419	H9	C5	H11	109.006
H9	C5	H13	109.268	H10	C6	H12	109.006
H10	C6	H14	109.268	H11	C5	H13	107.961
H12	C6	H14	107.961

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G*

States and conformations

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