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	hartrees
Energy at 0K	-303.208295
Energy at 298.15K	-303.218480
HF Energy	-302.078684
Nuclear repulsion energy	249.066744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3681	3480	27.23
2	A	3208	3033	8.24
3	A	3160	2987	8.05
4	A	3081	2913	3.54
5	A	1845	1744	231.71
6	A	1556	1471	14.66
7	A	1526	1443	0.15
8	A	1506	1424	4.21
9	A	1481	1400	4.33
10	A	1228	1161	0.05
11	A	1203	1137	1.18
12	A	1167	1103	6.65
13	A	945	893	0.49
14	A	560	529	92.94
15	A	446	422	43.76
16	A	227	215	3.38
17	A	198	187	0.07
18	A	105	99	0.36
19	B	3678	3477	11.96
20	B	3208	3033	5.13
21	B	3160	2987	39.88
22	B	3081	2913	82.21
23	B	1598	1511	356.14
24	B	1541	1457	3.37
25	B	1519	1436	66.79
26	B	1482	1402	9.26
27	B	1298	1228	196.85
28	B	1180	1116	21.51
29	B	1167	1104	9.37
30	B	1072	1014	1.20
31	B	795	752	29.65
32	B	751	711	25.78
33	B	504	477	92.19
34	B	323	305	44.85
35	B	125	118	7.98
36	B	114	107	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.090
O2	0.000	0.000	1.304
N3	0.000	1.156	-0.668
N4	0.000	-1.156	-0.668
C5	-0.264	2.407	0.025
C6	0.264	-2.407	0.025
H7	-0.431	1.066	-1.574
H8	0.431	-1.066	-1.574
H9	-0.062	3.236	-0.655
H10	0.062	-3.236	-0.655
H11	0.404	2.479	0.881
H12	-0.404	-2.479	0.881
H13	-1.293	2.483	0.391
H14	1.293	-2.483	0.391

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2133	1.3826	1.3826	2.4221	2.4221	2.0229	2.0229	3.3209	3.3209	2.6332	2.6332	2.8157	2.8157
O2	1.2133		2.2859	2.2859	2.7381	2.7381	3.0989	3.0989	3.7827	3.7827	2.5468	2.5468	2.9447	2.9447
N3	1.3826	2.2859		2.3115	1.4544	3.6389	1.0068	2.4375	2.0808	4.3918	2.0776	3.9719	2.1344	4.0045
N4	1.3826	2.2859	2.3115		3.6389	1.4544	2.4375	1.0068	4.3918	2.0808	3.9719	2.0776	4.0045	2.1344
C5	2.4221	2.7381	1.4544	3.6389		4.8423	2.0934	3.8857	1.0908	5.6925	1.0885	4.9621	1.0950	5.1448
C6	2.4221	2.7381	3.6389	1.4544	4.8423		3.8857	2.0934	5.6925	1.0908	4.9621	1.0885	5.1448	1.0950
H7	2.0229	3.0989	1.0068	2.4375	2.0934	3.8857		2.2994	2.3850	4.4261	2.9534	4.3123	2.5715	4.4078
H8	2.0229	3.0989	2.4375	1.0068	3.8857	2.0934	2.2994		4.4261	2.3850	4.3123	2.9534	4.4078	2.5715
H9	3.3209	3.7827	2.0808	4.3918	1.0908	5.6925	2.3850	4.4261		6.4724	1.7749	5.9273	1.7819	5.9694
H10	3.3209	3.7827	4.3918	2.0808	5.6925	1.0908	4.4261	2.3850	6.4724		5.9273	1.7749	5.9694	1.7819
H11	2.6332	2.5468	2.0776	3.9719	1.0885	4.9621	2.9534	4.3123	1.7749	5.9273		5.0232	1.7664	5.0648
H12	2.6332	2.5468	3.9719	2.0776	4.9621	1.0885	4.3123	2.9534	5.9273	1.7749	5.0232		5.0648	1.7664
H13	2.8157	2.9447	2.1344	4.0045	1.0950	5.1448	2.5715	4.4078	1.7819	5.9694	1.7664	5.0648		5.5992
H14	2.8157	2.9447	4.0045	2.1344	5.1448	1.0950	4.4078	2.5715	5.9694	1.7819	5.0648	1.7664	5.5992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.214	C1	N3	H7	114.781
C1	N4	C6	117.214	C1	N4	H8	114.781
O2	C1	N3	123.291	O2	C1	N4	123.291
N3	C1	N4	113.419	N3	C5	H9	108.840
N3	C5	H11	108.720	N3	C5	H13	112.938
N4	C6	H10	108.840	N4	C6	H12	108.720
N4	C6	H14	112.938	C5	N3	H7	115.340
C6	N4	H8	115.340	H9	C5	H11	109.064
H9	C5	H13	109.217	H10	C6	H12	109.064
H10	C6	H14	109.217	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: CCSD/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: CCSD/6-31G(2df,p)

States and conformations

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