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	hartrees
Energy at 0K	-303.701723
Energy at 298.15K
HF Energy	-303.342856
Nuclear repulsion energy	248.182089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3631	18.13
2	A	3177	3177	10.31
3	A	3121	3121	9.36
4	A	3040	3040	4.14
5	A	1785	1785	235.33
6	A	1544	1544	18.85
7	A	1511	1511	0.27
8	A	1492	1492	5.26
9	A	1461	1461	9.22
10	A	1207	1207	0.02
11	A	1185	1185	1.01
12	A	1154	1154	8.24
13	A	930	930	0.93
14	A	551	551	88.37
15	A	445	445	42.02
16	A	229	229	2.86
17	A	191	191	0.14
18	A	97	97	0.46
19	B	3627	3627	9.45
20	B	3177	3177	4.57
21	B	3122	3122	59.81
22	B	3039	3039	125.94
23	B	1577	1577	309.32
24	B	1525	1525	11.70
25	B	1503	1503	86.09
26	B	1465	1465	7.05
27	B	1267	1267	246.27
28	B	1166	1166	30.83
29	B	1154	1154	7.29
30	B	1052	1052	1.11
31	B	769	769	26.48
32	B	739	739	21.12
33	B	508	508	108.33
34	B	329	329	44.83
35	B	124	124	8.10
36	B	103	103	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.099
O2	0.000	0.000	1.319
N3	0.000	1.158	-0.663
N4	0.000	-1.158	-0.663
C5	-0.241	2.425	0.012
C6	0.241	-2.425	0.012
H7	-0.412	1.068	-1.578
H8	0.412	-1.068	-1.578
H9	0.076	3.241	-0.638
H10	-0.076	-3.241	-0.638
H11	0.350	2.446	0.925
H12	-0.350	-2.446	0.925
H13	-1.292	2.569	0.286
H14	1.292	-2.569	0.286

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2195	1.3864	1.3864	2.4389	2.4389	2.0311	2.0311	3.3248	3.3248	2.6054	2.6054	2.8816	2.8816
O2	1.2195		2.2951	2.2951	2.7656	2.7656	3.1152	3.1152	3.7869	3.7869	2.5025	2.5025	3.0556	3.0556
N3	1.3864	2.2951		2.3164	1.4555	3.6544	1.0084	2.4421	2.0843	4.3999	2.0738	3.9540	2.1349	4.0572
N4	1.3864	2.2951	2.3164		3.6544	1.4555	2.4421	1.0084	4.3999	2.0843	3.9540	2.0738	4.0572	2.1349
C5	2.4389	2.7656	1.4555	3.6544		4.8746	2.0979	3.8933	1.0902	5.7059	1.0873	4.9577	1.0953	5.2315
C6	2.4389	2.7656	3.6544	1.4555	4.8746		3.8933	2.0979	5.7059	1.0902	4.9577	1.0873	5.2315	1.0953
H7	2.0311	3.1152	1.0084	2.4421	2.0979	3.8933		2.2893	2.4177	4.4229	2.9574	4.3148	2.5498	4.4278
H8	2.0311	3.1152	2.4421	1.0084	3.8933	2.0979	2.2893		4.4229	2.4177	4.3148	2.9574	4.4278	2.5498
H9	3.3248	3.7869	2.0843	4.3999	1.0902	5.7059	2.4177	4.4229		6.4838	1.7746	5.9136	1.7821	6.0074
H10	3.3248	3.7869	4.3999	2.0843	5.7059	1.0902	4.4229	2.4177	6.4838		5.9136	1.7746	6.0074	1.7821
H11	2.6054	2.5025	2.0738	3.9540	1.0873	4.9577	2.9574	4.3148	1.7746	5.9136		4.9425	1.7657	5.1431
H12	2.6054	2.5025	3.9540	2.0738	4.9577	1.0873	4.3148	2.9574	5.9136	1.7746	4.9425		5.1431	1.7657
H13	2.8816	3.0556	2.1349	4.0572	1.0953	5.2315	2.5498	4.4278	1.7821	6.0074	1.7657	5.1431		5.7511
H14	2.8816	3.0556	4.0572	2.1349	5.2315	1.0953	4.4278	2.5498	6.0074	1.7821	5.1431	1.7657	5.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	118.207	C1	N3	H7	115.103
C1	N4	C6	118.207	C1	N4	H8	115.103
O2	C1	N3	123.341	O2	C1	N4	123.341
N3	C1	N4	113.318	N3	C5	H9	109.079
N3	C5	H11	108.416	N3	C5	H13	112.878
N4	C6	H10	109.079	N4	C6	H12	108.416
N4	C6	H14	112.878	C5	N3	H7	115.546
C6	N4	H8	115.546	H9	C5	H11	109.161
H9	C5	H13	109.256	H10	C6	H12	109.161
H10	C6	H14	109.256	H11	C5	H13	107.987
H12	C6	H14	107.987

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

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

States and conformations

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