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	hartrees
Energy at 0K	-300.960433
Energy at 298.15K	-300.970295
HF Energy	-300.359568
Nuclear repulsion energy	245.242765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3610	3446	26.64
2	A	3191	3046	1.11
3	A	3126	2984	0.45
4	A	3072	2933	1.20
5	A	1729	1650	117.15
6	A	1624	1550	24.01
7	A	1612	1539	0.21
8	A	1537	1467	16.43
9	A	1495	1427	58.54
10	A	1212	1157	5.42
11	A	1193	1139	0.04
12	A	1167	1114	1.94
13	A	917	875	6.99
14	A	505	482	2.52
15	A	245	234	2.00
16	A	232	222	10.50
17	A	169	161	0.27
18	A	81	77	4.73
19	B	3603	3439	7.80
20	B	3191	3046	0.46
21	B	3127	2984	92.64
22	B	3071	2931	120.73
23	B	1630	1556	22.61
24	B	1613	1539	11.21
25	B	1557	1487	323.00
26	B	1507	1438	19.24
27	B	1249	1192	406.55
28	B	1199	1145	2.77
29	B	1188	1134	46.45
30	B	1028	981	2.55
31	B	753	719	27.96
32	B	716	684	11.34
33	B	469	448	293.39
34	B	376	359	55.88
35	B	148	141	3.73
36	B	106	101	17.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.092
O2	0.000	0.000	1.348
N3	0.000	1.167	-0.668
N4	0.000	-1.167	-0.668
C5	-0.047	2.474	0.012
C6	0.047	-2.474	0.012
H7	-0.140	1.126	-1.670
H8	0.140	-1.126	-1.670
H9	0.787	3.113	-0.297
H10	-0.787	-3.113	-0.297
H11	0.034	2.256	1.079
H12	-0.034	-2.256	1.079
H13	-0.991	2.998	-0.176
H14	0.991	-2.998	-0.176

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2555	1.3929	1.3929	2.4759	2.4759	2.0958	2.0958	3.2348	3.2348	2.4626	2.4626	3.1690	3.1690
O2	1.2555		2.3296	2.3296	2.8120	2.8120	3.2240	3.2240	3.6081	3.6081	2.2722	2.2722	3.5060	3.5060
N3	1.3929	2.3296		2.3334	1.4749	3.7043	1.0121	2.5054	2.1322	4.3676	2.0595	3.8432	2.1399	4.3093
N4	1.3929	2.3296	2.3334		3.7043	1.4749	2.5054	1.0121	4.3676	2.1322	3.8432	2.0595	4.3093	2.1399
C5	2.4759	2.8120	1.4749	3.7043		4.9493	2.1583	3.9779	1.0952	5.6448	1.0917	4.8490	1.0965	5.5729
C6	2.4759	2.8120	3.7043	1.4749	4.9493		3.9779	2.1583	5.6448	1.0952	4.8490	1.0917	5.5729	1.0965
H7	2.0958	3.2240	1.0121	2.5054	2.1583	3.9779		2.2685	2.5876	4.5022	2.9775	4.3592	2.5422	4.5295
H8	2.0958	3.2240	2.5054	1.0121	3.9779	2.1583	2.2685		4.5022	2.5876	4.3592	2.9775	4.5295	2.5422
H9	3.2348	3.6081	2.1322	4.3676	1.0952	5.6448	2.5876	4.5022		6.4224	1.7875	5.6034	1.7864	6.1158
H10	3.2348	3.6081	4.3676	2.1322	5.6448	1.0952	4.5022	2.5876	6.4224		5.6034	1.7875	6.1158	1.7864
H11	2.4626	2.2722	2.0595	3.8432	1.0917	4.8490	2.9775	4.3592	1.7875	5.6034		4.5126	1.7825	5.4858
H12	2.4626	2.2722	3.8432	2.0595	4.8490	1.0917	4.3592	2.9775	5.6034	1.7875	4.5126		5.4858	1.7825
H13	3.1690	3.5060	2.1399	4.3093	1.0965	5.5729	2.5422	4.5295	1.7864	6.1158	1.7825	5.4858		6.3152
H14	3.1690	3.5060	4.3093	2.1399	5.5729	1.0965	4.5295	2.5422	6.1158	1.7864	5.4858	1.7825	6.3152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.362	C1	N3	H7	120.428
C1	N4	C6	119.362	C1	N4	H8	120.428
O2	C1	N3	123.112	O2	C1	N4	123.112
N3	C1	N4	113.777	N3	C5	H9	111.264
N3	C5	H11	105.755	N3	C5	H13	111.805
N4	C6	H10	111.264	N4	C6	H12	105.755
N4	C6	H14	111.805	C5	N3	H7	119.242
C6	N4	H8	119.242	H9	C5	H11	109.650
H9	C5	H13	109.191	H10	C6	H12	109.650
H10	C6	H14	109.191	H11	C5	H13	109.098
H12	C6	H14	109.098

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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