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	hartrees
Energy at 0K	-303.200628
Energy at 298.15K	-303.210829
HF Energy	-302.079018
Nuclear repulsion energy	249.264365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3694	3499	30.48
2	A	3218	3048	7.73
3	A	3171	3004	7.54
4	A	3090	2927	3.33
5	A	1864	1766	246.55
6	A	1560	1477	15.68
7	A	1530	1449	0.14
8	A	1510	1431	4.04
9	A	1485	1406	3.94
10	A	1233	1168	0.08
11	A	1208	1144	1.18
12	A	1170	1108	6.11
13	A	950	900	0.79
14	A	558	528	90.91
15	A	445	422	47.66
16	A	228	216	3.49
17	A	199	189	0.05
18	A	107	101	0.35
19	B	3691	3496	12.59
20	B	3218	3048	4.96
21	B	3171	3004	37.28
22	B	3090	2927	78.23
23	B	1604	1519	378.13
24	B	1544	1462	2.97
25	B	1522	1442	64.78
26	B	1487	1408	8.76
27	B	1303	1234	196.48
28	B	1183	1121	20.26
29	B	1170	1108	9.44
30	B	1077	1020	1.02
31	B	801	759	29.14
32	B	754	714	25.71
33	B	504	478	94.61
34	B	323	306	45.31
35	B	125	118	8.16
36	B	116	110	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.091
O2	0.000	0.000	1.301
N3	0.000	1.155	-0.667
N4	0.000	-1.155	-0.667
C5	-0.259	2.407	0.025
C6	0.259	-2.407	0.025
H7	-0.427	1.066	-1.574
H8	0.427	-1.066	-1.574
H9	-0.062	3.234	-0.657
H10	0.062	-3.234	-0.657
H11	0.413	2.482	0.877
H12	-0.413	-2.482	0.877
H13	-1.286	2.484	0.396
H14	1.286	-2.484	0.396

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2106	1.3813	1.3813	2.4214	2.4214	2.0223	2.0223	3.3197	3.3197	2.6357	2.6357	2.8135	2.8135
O2	1.2106		2.2822	2.2822	2.7365	2.7365	3.0961	3.0961	3.7812	3.7812	2.5512	2.5512	2.9397	2.9397
N3	1.3813	2.2822		2.3096	1.4536	3.6372	1.0061	2.4367	2.0798	4.3890	2.0772	3.9721	2.1332	4.0030
N4	1.3813	2.2822	2.3096		3.6372	1.4536	2.4367	1.0061	4.3890	2.0798	3.9721	2.0772	4.0030	2.1332
C5	2.4214	2.7365	1.4536	3.6372		4.8410	2.0928	3.8842	1.0903	5.6905	1.0881	4.9642	1.0945	5.1421
C6	2.4214	2.7365	3.6372	1.4536	4.8410		3.8842	2.0928	5.6905	1.0903	4.9642	1.0881	5.1421	1.0945
H7	2.0223	3.0961	1.0061	2.4367	2.0928	3.8842		2.2971	2.3814	4.4236	2.9521	4.3120	2.5746	4.4065
H8	2.0223	3.0961	2.4367	1.0061	3.8842	2.0928	2.2971		4.4236	2.3814	4.3120	2.9521	4.4065	2.5746
H9	3.3197	3.7812	2.0798	4.3890	1.0903	5.6905	2.3814	4.4236		6.4686	1.7736	5.9281	1.7810	5.9679
H10	3.3197	3.7812	4.3890	2.0798	5.6905	1.0903	4.4236	2.3814	6.4686		5.9281	1.7736	5.9679	1.7810
H11	2.6357	2.5512	2.0772	3.9721	1.0881	4.9642	2.9521	4.3120	1.7736	5.9281		5.0314	1.7658	5.0643
H12	2.6357	2.5512	3.9721	2.0772	4.9642	1.0881	4.3120	2.9521	5.9281	1.7736	5.0314		5.0643	1.7658
H13	2.8135	2.9397	2.1332	4.0030	1.0945	5.1421	2.5746	4.4065	1.7810	5.9679	1.7658	5.0643		5.5938
H14	2.8135	2.9397	4.0030	2.1332	5.1421	1.0945	4.4065	2.5746	5.9679	1.7810	5.0643	1.7658	5.5938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.314	C1	N3	H7	114.891
C1	N4	C6	117.314	C1	N4	H8	114.891
O2	C1	N3	123.274	O2	C1	N4	123.274
N3	C1	N4	113.453	N3	C5	H9	108.855
N3	C5	H11	108.773	N3	C5	H13	112.932
N4	C6	H10	108.855	N4	C6	H12	108.773
N4	C6	H14	112.932	C5	N3	H7	115.409
C6	N4	H8	115.409	H9	C5	H11	109.008
H9	C5	H13	109.210	H10	C6	H12	109.008
H10	C6	H14	109.210	H11	C5	H13	107.997
H12	C6	H14	107.997

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

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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