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	hartrees
Energy at 0K	-303.041072
Energy at 298.15K	-303.051301
HF Energy	-302.056859
Nuclear repulsion energy	248.155722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3689	3473	17.85
2	A	3237	3047	13.76
3	A	3184	2998	11.55
4	A	3101	2919	4.59
5	A	1828	1721	221.41
6	A	1577	1485	10.80
7	A	1551	1460	0.12
8	A	1525	1435	8.75
9	A	1500	1412	3.30
10	A	1234	1162	0.20
11	A	1207	1136	0.40
12	A	1172	1103	7.65
13	A	947	891	0.11
14	A	577	543	124.01
15	A	459	432	34.98
16	A	229	216	3.14
17	A	199	187	0.16
18	A	111	104	0.38
19	B	3687	3471	10.61
20	B	3236	3047	8.61
21	B	3184	2998	56.99
22	B	3100	2918	103.19
23	B	1611	1517	337.43
24	B	1565	1474	10.43
25	B	1546	1455	71.99
26	B	1503	1415	12.78
27	B	1307	1230	209.55
28	B	1189	1119	25.12
29	B	1174	1105	12.25
30	B	1075	1012	1.41
31	B	767	722	58.84
32	B	749	705	13.79
33	B	512	482	101.14
34	B	328	309	44.16
35	B	126	119	7.56
36	B	120	113	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.092
O2	0.000	0.000	1.318
N3	0.000	1.159	-0.672
N4	0.000	-1.159	-0.672
C5	-0.254	2.416	0.021
C6	0.254	-2.416	0.021
H7	-0.451	1.067	-1.569
H8	0.451	-1.067	-1.569
H9	-0.048	3.237	-0.664
H10	0.048	-3.237	-0.664
H11	0.417	2.484	0.872
H12	-0.417	-2.484	0.872
H13	-1.281	2.500	0.388
H14	1.281	-2.500	0.388

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2264	1.3881	1.3881	2.4303	2.4303	2.0244	2.0244	3.3244	3.3244	2.6368	2.6368	2.8242	2.8242
O2	1.2264		2.3028	2.3028	2.7538	2.7538	3.1104	3.1104	3.7958	3.7958	2.5577	2.5577	2.9586	2.9586
N3	1.3881	2.3028		2.3188	1.4572	3.6507	1.0084	2.4423	2.0783	4.3968	2.0764	3.9788	2.1353	4.0189
N4	1.3881	2.3028	2.3188		3.6507	1.4572	2.4423	1.0084	4.3968	2.0783	3.9788	2.0764	4.0189	2.1353
C5	2.4303	2.7538	1.4572	3.6507		4.8586	2.0942	3.8930	1.0888	5.7024	1.0861	4.9758	1.0932	5.1627
C6	2.4303	2.7538	3.6507	1.4572	4.8586		3.8930	2.0942	5.7024	1.0888	4.9758	1.0861	5.1627	1.0932
H7	2.0244	3.1104	1.0084	2.4423	2.0942	3.8930		2.3170	2.3856	4.4264	2.9529	4.3089	2.5629	4.4214
H8	2.0244	3.1104	2.4423	1.0084	3.8930	2.0942	2.3170		4.4264	2.3856	4.3089	2.9529	4.4214	2.5629
H9	3.3244	3.7958	2.0783	4.3968	1.0888	5.7024	2.3856	4.4264		6.4749	1.7728	5.9349	1.7800	5.9818
H10	3.3244	3.7958	4.3968	2.0783	5.7024	1.0888	4.4264	2.3856	6.4749		5.9349	1.7728	5.9818	1.7800
H11	2.6368	2.5577	2.0764	3.9788	1.0861	4.9758	2.9529	4.3089	1.7728	5.9349		5.0371	1.7654	5.0809
H12	2.6368	2.5577	3.9788	2.0764	4.9758	1.0861	4.3089	2.9529	5.9349	1.7728	5.0371		5.0809	1.7654
H13	2.8242	2.9586	2.1353	4.0189	1.0932	5.1627	2.5629	4.4214	1.7800	5.9818	1.7654	5.0809		5.6173
H14	2.8242	2.9586	4.0189	2.1353	5.1627	1.0932	4.4214	2.5629	5.9818	1.7800	5.0809	1.7654	5.6173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.314	C1	N3	H7	114.360
C1	N4	C6	117.314	C1	N4	H8	114.360
O2	C1	N3	123.357	O2	C1	N4	123.357
N3	C1	N4	113.285	N3	C5	H9	108.567
N3	C5	H11	108.577	N3	C5	H13	112.919
N4	C6	H10	108.567	N4	C6	H12	108.577
N4	C6	H14	112.919	C5	N3	H7	115.073
C6	N4	H8	115.073	H9	C5	H11	109.193
H9	C5	H13	109.328	H10	C6	H12	109.193
H10	C6	H14	109.328	H11	C5	H13	108.200
H12	C6	H14	108.200

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

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

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