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	hartrees
Energy at 0K	-303.633117
Energy at 298.15K
HF Energy	-303.302941
Nuclear repulsion energy	247.392281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3621	3484	23.36
2	A	3178	3058	11.68
3	A	3134	3016	8.34
4	A	3050	2935	5.86
5	A	1739	1673	258.38
6	A	1521	1464	18.32
7	A	1484	1428	0.71
8	A	1472	1416	2.63
9	A	1439	1385	7.73
10	A	1202	1157	0.13
11	A	1177	1133	2.07
12	A	1138	1095	6.31
13	A	921	886	1.56
14	A	528	508	53.02
15	A	409	394	53.03
16	A	221	213	4.73
17	A	186	179	0.12
18	A	106	102	0.38
19	B	3618	3481	8.34
20	B	3178	3058	5.36
21	B	3134	3016	44.12
22	B	3049	2934	110.69
23	B	1565	1506	369.95
24	B	1499	1443	1.82
25	B	1475	1420	52.77
26	B	1443	1389	7.12
27	B	1267	1219	211.76
28	B	1155	1111	24.18
29	B	1141	1098	4.70
30	B	1047	1008	1.45
31	B	761	733	15.06
32	B	725	697	22.07
33	B	474	456	104.64
34	B	315	303	42.72
35	B	123	118	7.81
36	B	120	115	2.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.088
O2	0.000	0.000	1.318
N3	0.000	1.164	-0.665
N4	0.000	-1.164	-0.665
C5	-0.231	2.431	0.020
C6	0.231	-2.431	0.020
H7	-0.392	1.085	-1.594
H8	0.392	-1.085	-1.594
H9	-0.037	3.249	-0.683
H10	0.037	-3.249	-0.683
H11	0.464	2.511	0.861
H12	-0.464	-2.511	0.861
H13	-1.255	2.521	0.412
H14	1.255	-2.521	0.412

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2305	1.3865	1.3865	2.4431	2.4431	2.0391	2.0391	3.3391	3.3391	2.6684	2.6684	2.8343	2.8343
O2	1.2305		2.2997	2.2997	2.7657	2.7657	3.1321	3.1321	3.8159	3.8159	2.5943	2.5943	2.9580	2.9580
N3	1.3865	2.2997		2.3289	1.4585	3.6676	1.0112	2.4649	2.0846	4.4133	2.0877	4.0069	2.1385	4.0390
N4	1.3865	2.2997	2.3289		3.6676	1.4585	2.4649	1.0112	4.4133	2.0846	4.0069	2.0877	4.0390	2.1385
C5	2.4431	2.7657	1.4585	3.6676		4.8843	2.1079	3.9186	1.0956	5.7295	1.0939	5.0190	1.1003	5.1847
C6	2.4431	2.7657	3.6676	1.4585	4.8843		3.9186	2.1079	5.7295	1.0956	5.0190	1.0939	5.1847	1.1003
H7	2.0391	3.1321	1.0112	2.4649	2.1079	3.9186		2.3068	2.3741	4.4489	2.9655	4.3549	2.6132	4.4422
H8	2.0391	3.1321	2.4649	1.0112	3.9186	2.1079	2.3068		4.4489	2.3741	4.3549	2.9655	4.4422	2.6132
H9	3.3391	3.8159	2.0846	4.4133	1.0956	5.7295	2.3741	4.4489		6.4977	1.7835	5.9787	1.7924	6.0127
H10	3.3391	3.8159	4.4133	2.0846	5.7295	1.0956	4.4489	2.3741	6.4977		5.9787	1.7835	6.0127	1.7924
H11	2.6684	2.5943	2.0877	4.0069	1.0939	5.0190	2.9655	4.3549	1.7835	5.9787		5.1075	1.7769	5.1134
H12	2.6684	2.5943	4.0069	2.0877	5.0190	1.0939	4.3549	2.9655	5.9787	1.7835	5.1075		5.1134	1.7769
H13	2.8343	2.9580	2.1385	4.0390	1.1003	5.1847	2.6132	4.4422	1.7924	6.0127	1.7769	5.1134		5.6314
H14	2.8343	2.9580	4.0390	2.1385	5.1847	1.1003	4.4422	2.6132	6.0127	1.7924	5.1134	1.7769	5.6314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	118.328	C1	N3	H7	115.631
C1	N4	C6	118.328	C1	N4	H8	115.631
O2	C1	N3	122.876	O2	C1	N4	122.876
N3	C1	N4	114.248	N3	C5	H9	108.574
N3	C5	H11	108.921	N3	C5	H13	112.636
N4	C6	H10	108.574	N4	C6	H12	108.921
N4	C6	H14	112.636	C5	N3	H7	116.007
C6	N4	H8	116.007	H9	C5	H11	109.089
H9	C5	H13	109.415	H10	C6	H12	109.089
H10	C6	H14	109.415	H11	C5	H13	108.153
H12	C6	H14	108.153

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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