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	hartrees
Energy at 0K	-303.587478
Energy at 298.15K
HF Energy	-303.271685
Nuclear repulsion energy	248.081740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3652	3652	16.39
2	A	3215	3215	8.50
3	A	3154	3154	9.26
4	A	3071	3071	3.26
5	A	1803	1803	211.71
6	A	1561	1561	15.00
7	A	1533	1533	0.09
8	A	1505	1505	7.26
9	A	1476	1476	7.08
10	A	1216	1216	0.03
11	A	1195	1195	1.05
12	A	1162	1162	7.37
13	A	936	936	0.98
14	A	550	550	76.51
15	A	442	442	44.94
16	A	231	231	2.72
17	A	191	191	0.05
18	A	91	91	0.31
19	B	3648	3648	9.59
20	B	3214	3214	4.33
21	B	3154	3154	57.69
22	B	3069	3069	121.03
23	B	1593	1593	301.08
24	B	1544	1544	17.32
25	B	1525	1525	107.57
26	B	1479	1479	10.94
27	B	1280	1280	231.32
28	B	1175	1175	27.85
29	B	1159	1159	11.35
30	B	1063	1063	1.31
31	B	760	760	27.21
32	B	739	739	27.19
33	B	508	508	118.87
34	B	332	332	45.89
35	B	124	124	8.73
36	B	95	95	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.096
O2	0.000	0.000	1.323
N3	0.000	1.159	-0.664
N4	0.000	-1.159	-0.664
C5	-0.239	2.424	0.013
C6	0.239	-2.424	0.013
H7	-0.402	1.073	-1.585
H8	0.402	-1.073	-1.585
H9	0.091	3.240	-0.629
H10	-0.091	-3.240	-0.629
H11	0.342	2.433	0.931
H12	-0.342	-2.433	0.931
H13	-1.290	2.576	0.275
H14	1.290	-2.576	0.275

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2267	1.3859	1.3859	2.4368	2.4368	2.0346	2.0346	3.3213	3.3213	2.5952	2.5952	2.8871	2.8871
O2	1.2267		2.2999	2.2999	2.7653	2.7653	3.1256	3.1256	3.7835	3.7835	2.4881	2.4881	3.0659	3.0659
N3	1.3859	2.2999		2.3185	1.4537	3.6540	1.0089	2.4485	2.0829	4.4002	2.0697	3.9454	2.1344	4.0623
N4	1.3859	2.2999	2.3185		3.6540	1.4537	2.4485	1.0089	4.4002	2.0829	3.9454	2.0697	4.0623	2.1344
C5	2.4368	2.7653	1.4537	3.6540		4.8708	2.0984	3.8978	1.0896	5.7017	1.0866	4.9440	1.0946	5.2353
C6	2.4368	2.7653	3.6540	1.4537	4.8708		3.8978	2.0984	5.7017	1.0896	4.9440	1.0866	5.2353	1.0946
H7	2.0346	3.1256	1.0089	2.4485	2.0984	3.8978		2.2921	2.4186	4.4288	2.9554	4.3166	2.5518	4.4324
H8	2.0346	3.1256	2.4485	1.0089	3.8978	2.0984	2.2921		4.4288	2.4186	4.3166	2.9554	4.4324	2.5518
H9	3.3213	3.7835	2.0829	4.4002	1.0896	5.7017	2.4186	4.4288		6.4822	1.7746	5.8997	1.7794	6.0072
H10	3.3213	3.7835	4.4002	2.0829	5.7017	1.0896	4.4288	2.4186	6.4822		5.8997	1.7746	6.0072	1.7794
H11	2.5952	2.4881	2.0697	3.9454	1.0866	4.9440	2.9554	4.3166	1.7746	5.8997		4.9142	1.7647	5.1407
H12	2.5952	2.4881	3.9454	2.0697	4.9440	1.0866	4.3166	2.9554	5.8997	1.7746	4.9142		5.1407	1.7647
H13	2.8871	3.0659	2.1344	4.0623	1.0946	5.2353	2.5518	4.4324	1.7794	6.0072	1.7647	5.1407		5.7630
H14	2.8871	3.0659	4.0623	2.1344	5.2353	1.0946	4.4324	2.5518	6.0072	1.7794	5.1407	1.7647	5.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	118.194	C1	N3	H7	115.433
C1	N4	C6	118.194	C1	N4	H8	115.433
O2	C1	N3	123.235	O2	C1	N4	123.235
N3	C1	N4	113.531	N3	C5	H9	109.124
N3	C5	H11	108.253	N3	C5	H13	113.012
N4	C6	H10	109.124	N4	C6	H12	108.253
N4	C6	H14	113.012	C5	N3	H7	115.699
C6	N4	H8	115.699	H9	C5	H11	109.266
H9	C5	H13	109.113	H10	C6	H12	109.266
H10	C6	H14	109.113	H11	C5	H13	108.010
H12	C6	H14	108.010

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G**

States and conformations

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