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	hartrees
Energy at 0K	-303.064601
Energy at 298.15K	-303.074901
HF Energy	-302.067542
Nuclear repulsion energy	247.687247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3628	16.47
2	A	3194	3194	13.11
3	A	3145	3145	9.79
4	A	3058	3058	5.63
5	A	1849	1849	240.92
6	A	1532	1532	14.03
7	A	1499	1499	0.22
8	A	1486	1486	1.80
9	A	1456	1456	1.90
10	A	1222	1222	0.52
11	A	1193	1193	0.74
12	A	1147	1147	7.94
13	A	940	940	0.04
14	A	599	599	142.89
15	A	465	465	22.53
16	A	227	227	2.76
17	A	206	206	0.45
18	A	118	118	0.65
19	B	3627	3627	10.43
20	B	3194	3194	8.15
21	B	3145	3145	55.50
22	B	3057	3057	105.15
23	B	1590	1590	357.03
24	B	1513	1513	0.23
25	B	1491	1491	54.12
26	B	1460	1460	6.72
27	B	1294	1294	209.09
28	B	1165	1165	13.15
29	B	1153	1153	17.21
30	B	1073	1073	1.50
31	B	790	790	47.57
32	B	751	751	16.03
33	B	521	521	74.53
34	B	325	325	39.03
35	B	131	131	2.70
36	B	125	125	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.096
O2	0.000	0.000	1.315
N3	0.000	1.161	-0.675
N4	0.000	-1.161	-0.675
C5	-0.291	2.411	0.021
C6	0.291	-2.411	0.021
H7	-0.491	1.051	-1.559
H8	0.491	-1.051	-1.559
H9	-0.129	3.249	-0.675
H10	0.129	-3.249	-0.675
H11	0.400	2.514	0.870
H12	-0.400	-2.514	0.870
H13	-1.324	2.459	0.416
H14	1.324	-2.459	0.416

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2191	1.3940	1.3940	2.4292	2.4292	2.0210	2.0210	3.3421	3.3421	2.6608	2.6608	2.8106	2.8106
O2	1.2191		2.3044	2.3044	2.7515	2.7515	3.0992	3.0992	3.8125	3.8125	2.5845	2.5845	2.9336	2.9336
N3	1.3940	2.3044		2.3224	1.4596	3.6506	1.0164	2.4325	2.0922	4.4125	2.0923	4.0070	2.1509	4.0058
N4	1.3940	2.3044	2.3224		3.6506	1.4596	2.4325	1.0164	4.4125	2.0922	4.0070	2.0923	4.0058	2.1509
C5	2.4292	2.7515	1.4596	3.6506		4.8561	2.0933	3.8848	1.1017	5.7180	1.0994	4.9986	1.1067	5.1452
C6	2.4292	2.7515	3.6506	1.4596	4.8561		3.8848	2.0933	5.7180	1.1017	4.9986	1.0994	5.1452	1.1067
H7	2.0210	3.0992	1.0164	2.4325	2.0933	3.8848		2.3206	2.3964	4.4344	2.9715	4.3151	2.5638	4.4172
H8	2.0210	3.0992	2.4325	1.0164	3.8848	2.0933	2.3206		4.4344	2.3964	4.3151	2.9715	4.4172	2.5638
H9	3.3421	3.8125	2.0922	4.4125	1.1017	5.7180	2.3964	4.4344		6.5040	1.7905	5.9731	1.8004	5.9902
H10	3.3421	3.8125	4.4125	2.0922	5.7180	1.1017	4.4344	2.3964	6.5040		5.9731	1.7905	5.9902	1.8004
H11	2.6608	2.5845	2.0923	4.0070	1.0994	4.9986	2.9715	4.3151	1.7905	5.9731		5.0916	1.7833	5.0783
H12	2.6608	2.5845	4.0070	2.0923	4.9986	1.0994	4.3151	2.9715	5.9731	1.7905	5.0916		5.0783	1.7833
H13	2.8106	2.9336	2.1509	4.0058	1.1067	5.1452	2.5638	4.4172	1.8004	5.9902	1.7833	5.0783		5.5847
H14	2.8106	2.9336	4.0058	2.1509	5.1452	1.1067	4.4172	2.5638	5.9902	1.8004	5.0783	1.7833	5.5847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.685	C1	N3	H7	113.015
C1	N4	C6	116.685	C1	N4	H8	113.015
O2	C1	N3	123.595	O2	C1	N4	123.595
N3	C1	N4	112.810	N3	C5	H9	108.746
N3	C5	H11	108.886	N3	C5	H13	113.175
N4	C6	H10	108.746	N4	C6	H12	108.886
N4	C6	H14	113.175	C5	N3	H7	114.248
C6	N4	H8	114.248	H9	C5	H11	108.873
H9	C5	H13	109.221	H10	C6	H12	108.873
H10	C6	H14	109.221	H11	C5	H13	107.862
H12	C6	H14	107.862

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVDZ

States and conformations

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