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	hartrees
Energy at 0K	-301.789881
Energy at 298.15K	-301.799966
HF Energy	-301.582757
Nuclear repulsion energy	246.319745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3605	3432	20.14
2	A	3178	3025	0.49
3	A	3107	2958	0.00
4	A	3061	2914	1.43
5	A	1719	1637	111.43
6	A	1607	1530	31.30
7	A	1597	1521	0.00
8	A	1530	1456	12.78
9	A	1481	1410	62.77
10	A	1205	1147	7.21
11	A	1183	1126	0.00
12	A	1173	1117	3.50
13	A	920	876	5.82
14	A	507	483	1.62
15	A	271	258	0.00
16	A	244	232	0.84
17	A	179	170	0.00
18	A	125	119	0.00
19	B	3597	3424	6.41
20	B	3177	3025	0.00
21	B	3108	2958	97.32
22	B	3059	2912	137.48
23	B	1618	1540	55.54
24	B	1598	1521	14.62
25	B	1551	1476	322.68
26	B	1493	1422	8.02
27	B	1257	1196	355.75
28	B	1189	1132	2.36
29	B	1181	1124	62.35
30	B	1034	984	3.86
31	B	767	731	37.04
32	B	712	677	9.54
33	B	511	487	309.32
34	B	381	362	37.90
35	B	163	155	2.67
36	B	116	110	14.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.087
O2	0.000	0.000	1.338
N3	0.000	1.163	-0.664
N4	0.000	-1.163	-0.664
C5	0.001	2.463	0.015
C6	-0.001	-2.463	0.015
H7	0.000	1.130	-1.674
H8	-0.000	-1.130	-1.674
H9	0.893	3.047	-0.233
H10	-0.893	-3.047	-0.233
H11	0.001	2.238	1.082
H12	-0.001	-2.238	1.082
H13	-0.890	3.048	-0.232
H14	0.890	-3.048	-0.232

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2514	1.3844	1.3844	2.4642	2.4642	2.0926	2.0926	3.1914	3.1914	2.4489	2.4489	3.1917	3.1917
O2	1.2514		2.3155	2.3155	2.7960	2.7960	3.2176	3.2176	3.5427	3.5427	2.2523	2.2523	3.5428	3.5428
N3	1.3844	2.3155		2.3262	1.4669	3.6894	1.0107	2.5062	2.1291	4.3255	2.0500	3.8227	2.1291	4.3261
N4	1.3844	2.3155	2.3262		3.6894	1.4669	2.5062	1.0107	4.3255	2.1291	3.8227	2.0500	4.3261	2.1291
C5	2.4642	2.7960	1.4669	3.6894		4.9264	2.1519	3.9710	1.0945	5.5880	1.0902	4.8203	1.0945	5.5883
C6	2.4642	2.7960	3.6894	1.4669	4.9264		3.9710	2.1519	5.5880	1.0945	4.8203	1.0902	5.5883	1.0945
H7	2.0926	3.2176	1.0107	2.5062	2.1519	3.9710		2.2609	2.5591	4.5087	2.9701	4.3520	2.5593	4.5094
H8	2.0926	3.2176	2.5062	1.0107	3.9710	2.1519	2.2609		4.5087	2.5591	4.3520	2.9701	4.5094	2.5593
H9	3.1914	3.5427	2.1291	4.3255	1.0945	5.5880	2.5591	4.5087		6.3507	1.7829	5.5188	1.7831	6.0956
H10	3.1914	3.5427	4.3255	2.1291	5.5880	1.0945	4.5087	2.5591	6.3507		5.5188	1.7829	6.0956	1.7831
H11	2.4489	2.2523	2.0500	3.8227	1.0902	4.8203	2.9701	4.3520	1.7829	5.5188		4.4753	1.7829	5.5189
H12	2.4489	2.2523	3.8227	2.0500	4.8203	1.0902	4.3520	2.9701	5.5188	1.7829	4.4753		5.5189	1.7829
H13	3.1917	3.5428	2.1291	4.3261	1.0945	5.5883	2.5593	4.5094	1.7831	6.0956	1.7829	5.5189		6.3514
H14	3.1917	3.5428	4.3261	2.1291	5.5883	1.0945	4.5094	2.5593	6.0956	1.7831	5.5189	1.7829	6.3514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.572	C1	N3	H7	120.992
C1	N4	C6	119.572	C1	N4	H8	120.992
O2	C1	N3	122.842	O2	C1	N4	122.842
N3	C1	N4	114.317	N3	C5	H9	111.626
N3	C5	H11	105.644	N3	C5	H13	111.626
N4	C6	H10	111.626	N4	C6	H12	105.644
N4	C6	H14	111.626	C5	N3	H7	119.436
C6	N4	H8	119.436	H9	C5	H11	109.394
H9	C5	H13	109.084	H10	C6	H12	109.394
H10	C6	H14	109.084	H11	C5	H13	109.387
H12	C6	H14	109.387

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G

States and conformations

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