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	hartrees
Energy at 0K	-303.030681
Energy at 298.15K	-303.040945
HF Energy	-302.057560
Nuclear repulsion energy	248.522416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3708	3477	21.39
2	A	3249	3046	13.24
3	A	3199	2999	11.23
4	A	3114	2920	4.47
5	A	1867	1750	249.99
6	A	1582	1483	12.21
7	A	1555	1458	0.12
8	A	1533	1437	8.47
9	A	1506	1412	2.60
10	A	1241	1164	0.23
11	A	1215	1139	0.51
12	A	1177	1104	6.88
13	A	956	896	0.35
14	A	575	539	125.52
15	A	461	432	39.26
16	A	230	216	3.31
17	A	201	188	0.12
18	A	114	107	0.39
19	B	3706	3475	11.78
20	B	3249	3046	8.52
21	B	3199	2999	53.91
22	B	3113	2919	96.31
23	B	1622	1521	376.96
24	B	1570	1472	7.63
25	B	1550	1453	64.91
26	B	1509	1415	11.39
27	B	1316	1234	205.99
28	B	1194	1120	21.43
29	B	1179	1105	13.62
30	B	1083	1015	1.14
31	B	777	728	53.17
32	B	755	708	18.43
33	B	514	482	104.44
34	B	329	308	44.66
35	B	127	119	7.59
36	B	124	117	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.092
O2	0.000	0.000	1.313
N3	0.000	1.158	-0.670
N4	0.000	-1.158	-0.670
C5	-0.249	2.415	0.022
C6	0.249	-2.415	0.022
H7	-0.448	1.067	-1.567
H8	0.448	-1.067	-1.567
H9	-0.053	3.234	-0.667
H10	0.053	-3.234	-0.667
H11	0.431	2.488	0.865
H12	-0.431	-2.488	0.865
H13	-1.271	2.497	0.400
H14	1.271	-2.497	0.400

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2213	1.3859	1.3859	2.4284	2.4284	2.0227	2.0227	3.3221	3.3221	2.6408	2.6408	2.8184	2.8184
O2	1.2213		2.2961	2.2961	2.7495	2.7495	3.1040	3.1040	3.7922	3.7922	2.5647	2.5647	2.9466	2.9466
N3	1.3859	2.2961		2.3160	1.4558	3.6474	1.0074	2.4406	2.0766	4.3922	2.0758	3.9792	2.1332	4.0143
N4	1.3859	2.2961	2.3160		3.6474	1.4558	2.4406	1.0074	4.3922	2.0766	3.9792	2.0758	4.0143	2.1332
C5	2.4284	2.7495	1.4558	3.6474		4.8549	2.0930	3.8900	1.0881	5.6984	1.0856	4.9780	1.0925	5.1550
C6	2.4284	2.7495	3.6474	1.4558	4.8549		3.8900	2.0930	5.6984	1.0881	4.9780	1.0856	5.1550	1.0925
H7	2.0227	3.1040	1.0074	2.4406	2.0930	3.8900		2.3147	2.3796	4.4226	2.9507	4.3072	2.5669	4.4185
H8	2.0227	3.1040	2.4406	1.0074	3.8900	2.0930	2.3147		4.4226	2.3796	4.3072	2.9507	4.4185	2.5669
H9	3.3221	3.7922	2.0766	4.3922	1.0881	5.6984	2.3796	4.4226		6.4687	1.7709	5.9354	1.7788	5.9774
H10	3.3221	3.7922	4.3922	2.0766	5.6984	1.0881	4.4226	2.3796	6.4687		5.9354	1.7709	5.9774	1.7788
H11	2.6408	2.5647	2.0758	3.9792	1.0856	4.9780	2.9507	4.3072	1.7709	5.9354		5.0504	1.7644	5.0763
H12	2.6408	2.5647	3.9792	2.0758	4.9780	1.0856	4.3072	2.9507	5.9354	1.7709	5.0504		5.0763	1.7644
H13	2.8184	2.9466	2.1332	4.0143	1.0925	5.1550	2.5669	4.4185	1.7788	5.9774	1.7644	5.0763		5.6030
H14	2.8184	2.9466	4.0143	2.1332	5.1550	1.0925	4.4185	2.5669	5.9774	1.7788	5.0763	1.7644	5.6030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.407	C1	N3	H7	114.452
C1	N4	C6	117.407	C1	N4	H8	114.452
O2	C1	N3	123.326	O2	C1	N4	123.326
N3	C1	N4	113.348	N3	C5	H9	108.572
N3	C5	H11	108.657	N3	C5	H13	112.903
N4	C6	H10	108.572	N4	C6	H12	108.657
N4	C6	H14	112.903	C5	N3	H7	115.148
C6	N4	H8	115.148	H9	C5	H11	109.116
H9	C5	H13	109.325	H10	C6	H12	109.116
H10	C6	H14	109.325	H11	C5	H13	108.209
H12	C6	H14	108.209

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

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

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