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	hartrees
Energy at 0K	-303.081195
Energy at 298.15K	-303.091529
HF Energy	-302.108287
Nuclear repulsion energy	248.557251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3657	3493	15.42
2	A	3176	3033	14.18
3	A	3129	2989	10.65
4	A	3047	2910	5.57
5	A	1860	1777	269.27
6	A	1565	1494	23.50
7	A	1530	1461	0.08
8	A	1519	1451	1.15
9	A	1489	1422	4.57
10	A	1233	1178	0.01
11	A	1205	1151	1.07
12	A	1166	1114	8.15
13	A	951	908	0.28
14	A	592	565	158.01
15	A	468	447	29.86
16	A	231	221	3.85
17	A	204	195	0.22
18	A	123	117	0.43
19	B	3655	3491	10.08
20	B	3175	3033	8.92
21	B	3129	2989	52.01
22	B	3046	2909	95.17
23	B	1613	1540	399.15
24	B	1541	1471	1.51
25	B	1521	1452	47.76
26	B	1493	1426	4.19
27	B	1304	1245	217.23
28	B	1182	1129	10.06
29	B	1171	1118	20.36
30	B	1074	1026	0.92
31	B	798	762	52.24
32	B	759	725	18.50
33	B	525	502	103.41
34	B	328	314	43.52
35	B	136	130	1.59
36	B	127	121	6.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.094
O2	0.000	0.000	1.305
N3	0.000	1.158	-0.671
N4	0.000	-1.158	-0.671
C5	-0.249	2.415	0.024
C6	0.249	-2.415	0.024
H7	-0.467	1.066	-1.560
H8	0.467	-1.066	-1.560
H9	-0.081	3.239	-0.674
H10	0.081	-3.239	-0.674
H11	0.455	2.506	0.853
H12	-0.455	-2.506	0.853
H13	-1.265	2.482	0.432
H14	1.265	-2.482	0.432

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2115	1.3877	1.3877	2.4284	2.4284	2.0220	2.0220	3.3300	3.3300	2.6573	2.6573	2.8063	2.8063
O2	1.2115		2.2906	2.2906	2.7447	2.7447	3.0925	3.0925	3.7969	3.7969	2.5865	2.5865	2.9193	2.9193
N3	1.3877	2.2906		2.3158	1.4576	3.6481	1.0083	2.4397	2.0830	4.3979	2.0845	3.9938	2.1381	4.0083
N4	1.3877	2.2906	2.3158		3.6481	1.4576	2.4397	1.0083	4.3979	2.0830	3.9938	2.0845	4.0083	2.1381
C5	2.4284	2.7447	1.4576	3.6481		4.8548	2.0923	3.8902	1.0934	5.7064	1.0907	4.9938	1.0978	5.1414
C6	2.4284	2.7447	3.6481	1.4576	4.8548		3.8902	2.0923	5.7064	1.0934	4.9938	1.0907	5.1414	1.0978
H7	2.0220	3.0925	1.0083	2.4397	2.0923	3.8902		2.3268	2.3789	4.4292	2.9571	4.3098	2.5716	4.4221
H8	2.0220	3.0925	2.4397	1.0083	3.8902	2.0923	2.3268		4.4292	2.3789	4.3098	2.9571	4.4221	2.5716
H9	3.3300	3.7969	2.0830	4.3979	1.0934	5.7064	2.3789	4.4292		6.4806	1.7765	5.9560	1.7890	5.9806
H10	3.3300	3.7969	4.3979	2.0830	5.7064	1.0934	4.4292	2.3789	6.4806		5.9560	1.7765	5.9806	1.7890
H11	2.6573	2.5865	2.0845	3.9938	1.0907	4.9938	2.9571	4.3098	1.7765	5.9560		5.0933	1.7712	5.0703
H12	2.6573	2.5865	3.9938	2.0845	4.9938	1.0907	4.3098	2.9571	5.9560	1.7765	5.0933		5.0703	1.7712
H13	2.8063	2.9193	2.1381	4.0083	1.0978	5.1414	2.5716	4.4221	1.7890	5.9806	1.7712	5.0703		5.5715
H14	2.8063	2.9193	4.0083	2.1381	5.1414	1.0978	4.4221	2.5716	5.9806	1.7890	5.0703	1.7712	5.5715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.162	C1	N3	H7	114.175
C1	N4	C6	117.162	C1	N4	H8	114.175
O2	C1	N3	123.446	O2	C1	N4	123.446
N3	C1	N4	113.107	N3	C5	H9	108.637
N3	C5	H11	108.921	N3	C5	H13	112.831
N4	C6	H10	108.637	N4	C6	H12	108.921
N4	C6	H14	112.831	C5	N3	H7	114.866
C6	N4	H8	114.866	H9	C5	H11	108.856
H9	C5	H13	109.465	H10	C6	H12	108.856
H10	C6	H14	109.465	H11	C5	H13	108.062
H12	C6	H14	108.062

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

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

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