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	hartrees
Energy at 0K	-302.954558
Energy at 298.15K	-302.964810
HF Energy	-302.040171
Nuclear repulsion energy	248.404056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3654	3429	23.41
2	A	3230	3032	10.06
3	A	3181	2986	10.46
4	A	3100	2910	4.14
5	A	1874	1759	255.72
6	A	1580	1483	17.01
7	A	1551	1456	0.19
8	A	1534	1440	6.19
9	A	1505	1413	3.81
10	A	1242	1166	0.04
11	A	1219	1144	1.43
12	A	1178	1106	7.20
13	A	960	901	0.39
14	A	580	544	132.57
15	A	464	435	39.27
16	A	231	217	3.94
17	A	201	189	0.17
18	A	112	105	0.36
19	B	3652	3427	12.83
20	B	3230	3032	7.13
21	B	3181	2986	46.13
22	B	3100	2909	86.30
23	B	1625	1525	418.28
24	B	1567	1470	5.22
25	B	1547	1452	57.82
26	B	1508	1416	6.65
27	B	1319	1238	195.37
28	B	1194	1121	12.58
29	B	1179	1107	20.34
30	B	1085	1018	1.15
31	B	781	733	58.98
32	B	759	712	17.60
33	B	518	486	111.20
34	B	330	310	46.95
35	B	127	120	8.05
36	B	122	114	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.089
O2	0.000	0.000	1.310
N3	0.000	1.158	-0.670
N4	0.000	-1.158	-0.670
C5	-0.243	2.416	0.024
C6	0.243	-2.416	0.024
H7	-0.452	1.071	-1.571
H8	0.452	-1.071	-1.571
H9	-0.050	3.238	-0.668
H10	0.050	-3.238	-0.668
H11	0.446	2.488	0.865
H12	-0.446	-2.488	0.865
H13	-1.266	2.497	0.411
H14	1.266	-2.497	0.411

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2204	1.3850	1.3850	2.4289	2.4289	2.0264	2.0264	3.3255	3.3255	2.6439	2.6439	2.8183	2.8183
O2	1.2204		2.2937	2.2937	2.7473	2.7473	3.1060	3.1060	3.7945	3.7945	2.5663	2.5663	2.9404	2.9404
N3	1.3850	2.2937		2.3162	1.4572	3.6490	1.0115	2.4459	2.0801	4.3960	2.0796	3.9811	2.1367	4.0168
N4	1.3850	2.2937	2.3162		3.6490	1.4572	2.4459	1.0115	4.3960	2.0801	3.9811	2.0796	4.0168	2.1367
C5	2.4289	2.7473	1.4572	3.6490		4.8562	2.0971	3.8966	1.0922	5.7034	1.0895	4.9794	1.0965	5.1542
C6	2.4289	2.7473	3.6490	1.4572	4.8562		3.8966	2.0971	5.7034	1.0922	4.9794	1.0895	5.1542	1.0965
H7	2.0264	3.1060	1.0115	2.4459	2.0971	3.8966		2.3244	2.3817	4.4302	2.9579	4.3123	2.5741	4.4284
H8	2.0264	3.1060	2.4459	1.0115	3.8966	2.0971	2.3244		4.4302	2.3817	4.3123	2.9579	4.4284	2.5741
H9	3.3255	3.7945	2.0801	4.3960	1.0922	5.7034	2.3817	4.4302		6.4761	1.7777	5.9406	1.7869	5.9822
H10	3.3255	3.7945	4.3960	2.0801	5.7034	1.0922	4.4302	2.3817	6.4761		5.9406	1.7777	5.9822	1.7869
H11	2.6439	2.5663	2.0796	3.9811	1.0895	4.9794	2.9579	4.3123	1.7777	5.9406		5.0550	1.7710	5.0725
H12	2.6439	2.5663	3.9811	2.0796	4.9794	1.0895	4.3123	2.9579	5.9406	1.7777	5.0550		5.0725	1.7710
H13	2.8183	2.9404	2.1367	4.0168	1.0965	5.1542	2.5741	4.4284	1.7869	5.9822	1.7710	5.0725		5.5996
H14	2.8183	2.9404	4.0168	2.1367	5.1542	1.0965	4.4284	2.5741	5.9822	1.7869	5.0725	1.7710	5.5996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.409	C1	N3	H7	114.571
C1	N4	C6	117.409	C1	N4	H8	114.571
O2	C1	N3	123.258	O2	C1	N4	123.258
N3	C1	N4	113.483	N3	C5	H9	108.510
N3	C5	H11	108.620	N3	C5	H13	112.829
N4	C6	H10	108.510	N4	C6	H12	108.620
N4	C6	H14	112.829	C5	N3	H7	115.113
C6	N4	H8	115.113	H9	C5	H11	109.140
H9	C5	H13	109.462	H10	C6	H12	109.140
H10	C6	H14	109.462	H11	C5	H13	108.222
H12	C6	H14	108.222

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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