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	hartrees
Energy at 0K	-303.132358
Energy at 298.15K	-303.142584
HF Energy	-302.086867
Nuclear repulsion energy	247.259231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3627	3627	24.02
2	A	3168	3168	14.68
3	A	3129	3129	9.64
4	A	3048	3048	6.03
5	A	1778	1778	280.49
6	A	1526	1526	16.14
7	A	1492	1492	0.82
8	A	1481	1481	2.25
9	A	1450	1450	4.28
10	A	1211	1211	0.11
11	A	1184	1184	1.15
12	A	1142	1142	6.45
13	A	930	930	0.49
14	A	553	553	100.26
15	A	441	441	42.60
16	A	223	223	4.93
17	A	196	196	0.21
18	A	127	127	0.79
19	B	3625	3625	9.56
20	B	3168	3168	8.32
21	B	3129	3129	44.55
22	B	3047	3047	95.53
23	B	1579	1579	377.77
24	B	1506	1506	0.20
25	B	1484	1484	39.06
26	B	1454	1454	6.39
27	B	1285	1285	204.81
28	B	1164	1164	15.14
29	B	1149	1149	10.00
30	B	1055	1055	1.64
31	B	778	778	28.37
32	B	737	737	21.32
33	B	486	486	88.80
34	B	316	316	43.32
35	B	146	146	0.83
36	B	124	124	7.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.084
O2	0.000	0.000	1.311
N3	0.000	1.166	-0.676
N4	0.000	-1.166	-0.676
C5	-0.251	2.424	0.030
C6	0.251	-2.424	0.030
H7	-0.457	1.076	-1.575
H8	0.457	-1.076	-1.575
H9	-0.142	3.251	-0.687
H10	0.142	-3.251	-0.687
H11	0.495	2.542	0.828
H12	-0.495	-2.542	0.828
H13	-1.255	2.461	0.487
H14	1.255	-2.461	0.487

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2271	1.3912	1.3912	2.4374	2.4374	2.0296	2.0296	3.3443	3.3443	2.6942	2.6942	2.7917	2.7917
O2	1.2271		2.3033	2.3033	2.7530	2.7530	3.1141	3.1141	3.8185	3.8185	2.6343	2.6343	2.8828	2.8828
N3	1.3912	2.3033		2.3313	1.4642	3.6668	1.0133	2.4579	2.0904	4.4191	2.0972	4.0311	2.1458	4.0098
N4	1.3912	2.3033	2.3313		3.6668	1.4642	2.4579	1.0133	4.4191	2.0904	4.0311	2.0972	4.0098	2.1458
C5	2.4374	2.7530	1.4642	3.6668		4.8737	2.1067	3.9146	1.0999	5.7336	1.0981	5.0353	1.1039	5.1321
C6	2.4374	2.7530	3.6668	1.4642	4.8737		3.9146	2.1067	5.7336	1.0999	5.0353	1.0981	5.1321	1.1039
H7	2.0296	3.1141	1.0133	2.4579	2.1067	3.9146		2.3372	2.3713	4.4575	2.9717	4.3429	2.6095	4.4375
H8	2.0296	3.1141	2.4579	1.0133	3.9146	2.1067	2.3372		4.4575	2.3713	4.3429	2.9717	4.4375	2.6095
H9	3.3443	3.8185	2.0904	4.4191	1.0999	5.7336	2.3713	4.4575		6.5086	1.7893	5.9981	1.8002	5.9965
H10	3.3443	3.8185	4.4191	2.0904	5.7336	1.0999	4.4575	2.3713	6.5086		5.9981	1.7893	5.9965	1.8002
H11	2.6942	2.6343	2.0972	4.0311	1.0981	5.0353	2.9717	4.3429	1.7893	5.9981		5.1790	1.7844	5.0717
H12	2.6942	2.6343	4.0311	2.0972	5.0353	1.0981	4.3429	2.9717	5.9981	1.7893	5.1790		5.0717	1.7844
H13	2.7917	2.8828	2.1458	4.0098	1.1039	5.1321	2.6095	4.4375	1.8002	5.9965	1.7844	5.0717		5.5250
H14	2.7917	2.8828	4.0098	2.1458	5.1321	1.1039	4.4375	2.6095	5.9965	1.8002	5.0717	1.7844	5.5250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.191	C1	N3	H7	114.222
C1	N4	C6	117.191	C1	N4	H8	114.222
O2	C1	N3	123.086	O2	C1	N4	123.086
N3	C1	N4	113.827	N3	C5	H9	108.388
N3	C5	H11	109.027	N3	C5	H13	112.587
N4	C6	H10	108.388	N4	C6	H12	109.027
N4	C6	H14	112.587	C5	N3	H7	115.282
C6	N4	H8	115.282	H9	C5	H11	108.985
H9	C5	H13	109.539	H10	C6	H12	108.985
H10	C6	H14	109.539	H11	C5	H13	108.259
H12	C6	H14	108.259

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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