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	hartrees
Energy at 0K	-303.778509
Energy at 298.15K	-303.788564
HF Energy	-303.375178
Nuclear repulsion energy	248.815840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3634	3474	21.60
2	A	3169	3029	10.04
3	A	3122	2984	8.64
4	A	3047	2912	5.07
5	A	1768	1690	232.88
6	A	1544	1476	15.24
7	A	1512	1445	0.42
8	A	1488	1422	5.12
9	A	1461	1397	9.49
10	A	1207	1154	0.00
11	A	1184	1132	1.37
12	A	1154	1103	6.91
13	A	928	887	1.32
14	A	535	512	62.67
15	A	428	409	49.32
16	A	224	214	3.64
17	A	187	178	0.04
18	A	93	89	0.20
19	B	3631	3470	8.79
20	B	3169	3029	4.25
21	B	3123	2985	48.85
22	B	3046	2911	112.58
23	B	1574	1504	319.35
24	B	1528	1460	7.71
25	B	1503	1437	79.16
26	B	1464	1399	13.31
27	B	1274	1217	226.85
28	B	1167	1115	33.22
29	B	1153	1102	2.30
30	B	1050	1003	1.41
31	B	776	742	17.82
32	B	734	702	20.13
33	B	489	467	102.13
34	B	320	306	43.30
35	B	123	118	9.02
36	B	99	95	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.093
O2	0.000	0.000	1.313
N3	0.000	1.156	-0.660
N4	0.000	-1.156	-0.660
C5	-0.223	2.421	0.016
C6	0.223	-2.421	0.016
H7	-0.387	1.076	-1.584
H8	0.387	-1.076	-1.584
H9	0.030	3.232	-0.662
H10	-0.030	-3.232	-0.662
H11	0.424	2.472	0.884
H12	-0.424	-2.472	0.884
H13	-1.252	2.545	0.355
H14	1.252	-2.545	0.355

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2197	1.3798	1.3798	2.4328	2.4328	2.0297	2.0297	3.3190	3.3190	2.6302	2.6302	2.8483	2.8483
O2	1.2197		2.2865	2.2865	2.7559	2.7559	3.1143	3.1143	3.7874	3.7874	2.5447	2.5447	2.9934	2.9934
N3	1.3798	2.2865		2.3129	1.4512	3.6479	1.0052	2.4469	2.0757	4.3885	2.0724	3.9662	2.1275	4.0371
N4	1.3798	2.2865	2.3129		3.6479	1.4512	2.4469	1.0052	4.3885	2.0757	3.9662	2.0724	4.0371	2.1275
C5	2.4328	2.7559	1.4512	3.6479		4.8632	2.0969	3.8939	1.0861	5.6971	1.0839	4.9742	1.0908	5.1918
C6	2.4328	2.7559	3.6479	1.4512	4.8632		3.8939	2.0969	5.6971	1.0861	4.9742	1.0839	5.1918	1.0908
H7	2.0297	3.1143	1.0052	2.4469	2.0969	3.8939		2.2866	2.3818	4.4200	2.9495	4.3224	2.5824	4.4224
H8	2.0297	3.1143	2.4469	1.0052	3.8939	2.0969	2.2866		4.4200	2.3818	4.3224	2.9495	4.4224	2.5824
H9	3.3190	3.7874	2.0757	4.3885	1.0861	5.6971	2.3818	4.4200		6.4642	1.7669	5.9274	1.7746	5.9917
H10	3.3190	3.7874	4.3885	2.0757	5.6971	1.0861	4.4200	2.3818	6.4642		5.9274	1.7669	5.9917	1.7746
H11	2.6302	2.5447	2.0724	3.9662	1.0839	4.9742	2.9495	4.3224	1.7669	5.9274		5.0167	1.7589	5.1125
H12	2.6302	2.5447	3.9662	2.0724	4.9742	1.0839	4.3224	2.9495	5.9274	1.7669	5.0167		5.1125	1.7589
H13	2.8483	2.9934	2.1275	4.0371	1.0908	5.1918	2.5824	4.4224	1.7746	5.9917	1.7589	5.1125		5.6724
H14	2.8483	2.9934	4.0371	2.1275	5.1918	1.0908	4.4224	2.5824	5.9917	1.7746	5.1125	1.7589	5.6724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	118.462	C1	N3	H7	115.751
C1	N4	C6	118.462	C1	N4	H8	115.751
O2	C1	N3	123.060	O2	C1	N4	123.060
N3	C1	N4	113.880	N3	C5	H9	108.934
N3	C5	H11	108.796	N3	C5	H13	112.860
N4	C6	H10	108.934	N4	C6	H12	108.796
N4	C6	H14	112.860	C5	N3	H7	116.029
C6	N4	H8	116.029	H9	C5	H11	109.021
H9	C5	H13	109.208	H10	C6	H12	109.021
H10	C6	H14	109.208	H11	C5	H13	107.955
H12	C6	H14	107.955

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

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