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	hartrees
Energy at 0K	-303.286599
Energy at 298.15K	-303.296986
HF Energy	-302.147067
Nuclear repulsion energy	248.786042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3459	21.79
2	A	3186	3018	14.73
3	A	3142	2977	9.83
4	A	3063	2902	5.50
5	A	1817	1721	281.37
6	A	1555	1474	16.68
7	A	1524	1444	0.50
8	A	1510	1431	8.65
9	A	1494	1416	2.68
10	A	1234	1169	0.00
11	A	1203	1139	0.01
12	A	1173	1111	8.73
13	A	947	898	0.26
14	A	591	560	139.67
15	A	469	445	23.16
16	A	229	217	3.64
17	A	203	192	1.10
18	A	131	125	0.79
19	B	3648	3456	10.28
20	B	3186	3018	8.08
21	B	3142	2977	49.34
22	B	3062	2901	94.25
23	B	1591	1507	338.67
24	B	1540	1459	2.66
25	B	1517	1437	56.60
26	B	1498	1419	6.64
27	B	1296	1228	220.21
28	B	1189	1127	37.77
29	B	1178	1116	3.21
30	B	1062	1006	1.91
31	B	784	743	53.21
32	B	756	717	10.59
33	B	533	505	94.09
34	B	329	312	36.85
35	B	152	144	0.77
36	B	124	117	6.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.093
O2	0.000	0.000	1.308
N3	0.000	1.157	-0.667
N4	0.000	-1.157	-0.667
C5	-0.281	2.409	0.022
C6	0.281	-2.409	0.022
H7	-0.452	1.060	-1.562
H8	0.452	-1.060	-1.562
H9	-0.141	3.229	-0.682
H10	0.141	-3.229	-0.682
H11	0.419	2.527	0.845
H12	-0.419	-2.527	0.845
H13	-1.295	2.448	0.427
H14	1.295	-2.448	0.427

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2150	1.3847	1.3847	2.4268	2.4268	2.0170	2.0170	3.3235	3.3235	2.6695	2.6695	2.7895	2.7895
O2	1.2150		2.2892	2.2892	2.7457	2.7457	3.0930	3.0930	3.7953	3.7953	2.6030	2.6030	2.9061	2.9061
N3	1.3847	2.2892		2.3148	1.4563	3.6436	1.0077	2.4337	2.0763	4.3886	2.0825	4.0045	2.1307	3.9840
N4	1.3847	2.2892	2.3148		3.6436	1.4563	2.4337	1.0077	4.3886	2.0763	4.0045	2.0825	3.9840	2.1307
C5	2.4268	2.7457	1.4563	3.6436		4.8516	2.0880	3.8838	1.0890	5.6977	1.0868	5.0065	1.0933	5.1226
C6	2.4268	2.7457	3.6436	1.4563	4.8516		3.8838	2.0880	5.6977	1.0890	5.0065	1.0868	5.1226	1.0933
H7	2.0170	3.0930	1.0077	2.4337	2.0880	3.8838		2.3048	2.3616	4.4183	2.9505	4.3199	2.5680	4.3949
H8	2.0170	3.0930	2.4337	1.0077	3.8838	2.0880	2.3048		4.4183	2.3616	4.3199	2.9505	4.3949	2.5680
H9	3.3235	3.7953	2.0763	4.3886	1.0890	5.6977	2.3616	4.4183		6.4640	1.7709	5.9614	1.7813	5.9595
H10	3.3235	3.7953	4.3886	2.0763	5.6977	1.0890	4.4183	2.3616	6.4640		5.9614	1.7709	5.9595	1.7813
H11	2.6695	2.6030	2.0825	4.0045	1.0868	5.0065	2.9505	4.3199	1.7709	5.9614		5.1229	1.7664	5.0685
H12	2.6695	2.6030	4.0045	2.0825	5.0065	1.0868	4.3199	2.9505	5.9614	1.7709	5.1229		5.0685	1.7664
H13	2.7895	2.9061	2.1307	3.9840	1.0933	5.1226	2.5680	4.3949	1.7813	5.9595	1.7664	5.0685		5.5388
H14	2.7895	2.9061	3.9840	2.1307	5.1226	1.0933	4.3949	2.5680	5.9595	1.7813	5.0685	1.7664	5.5388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.326	C1	N3	H7	114.007
C1	N4	C6	117.326	C1	N4	H8	114.007
O2	C1	N3	123.291	O2	C1	N4	123.291
N3	C1	N4	113.417	N3	C5	H9	108.460
N3	C5	H11	109.084	N3	C5	H13	112.602
N4	C6	H10	108.460	N4	C6	H12	109.084
N4	C6	H14	112.602	C5	N3	H7	114.633
C6	N4	H8	114.633	H9	C5	H11	108.965
H9	C5	H13	109.427	H10	C6	H12	108.965
H10	C6	H14	109.427	H11	C5	H13	108.246
H12	C6	H14	108.246

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

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

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