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	hartrees
Energy at 0K	-303.556152
Energy at 298.15K	-303.566242
HF Energy	-303.255875
Nuclear repulsion energy	247.938947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3429	14.30
2	A	3212	3046	9.57
3	A	3154	2991	10.12
4	A	3072	2914	4.31
5	A	1805	1712	208.78
6	A	1570	1489	14.71
7	A	1542	1463	0.18
8	A	1512	1434	7.64
9	A	1488	1412	6.54
10	A	1221	1158	0.00
11	A	1198	1136	1.05
12	A	1166	1106	7.85
13	A	938	889	0.61
14	A	559	530	92.65
15	A	448	425	40.30
16	A	229	217	3.15
17	A	193	183	0.09
18	A	92	88	0.26
19	B	3612	3426	9.42
20	B	3212	3046	5.45
21	B	3154	2991	55.45
22	B	3071	2913	114.31
23	B	1597	1514	292.98
24	B	1554	1474	18.00
25	B	1535	1455	103.79
26	B	1491	1414	13.19
27	B	1287	1220	230.55
28	B	1180	1119	28.19
29	B	1165	1105	11.31
30	B	1064	1009	1.50
31	B	762	723	37.17
32	B	744	705	24.54
33	B	511	485	117.45
34	B	328	311	44.80
35	B	125	119	8.35
36	B	99	94	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.095
O2	0.000	0.000	1.321
N3	0.000	1.160	-0.665
N4	0.000	-1.160	-0.665
C5	-0.240	2.423	0.015
C6	0.240	-2.423	0.015
H7	-0.416	1.075	-1.583
H8	0.416	-1.075	-1.583
H9	0.040	3.242	-0.650
H10	-0.040	-3.242	-0.650
H11	0.384	2.458	0.907
H12	-0.384	-2.458	0.907
H13	-1.284	2.551	0.326
H14	1.284	-2.551	0.326

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2266	1.3868	1.3868	2.4365	2.4365	2.0359	2.0359	3.3267	3.3267	2.6166	2.6166	2.8649	2.8649
O2	1.2266		2.3005	2.3005	2.7633	2.7633	3.1251	3.1251	3.7946	3.7946	2.5218	2.5218	3.0242	3.0242
N3	1.3868	2.3005		2.3200	1.4549	3.6553	1.0115	2.4520	2.0823	4.4022	2.0742	3.9631	2.1363	4.0496
N4	1.3868	2.3005	2.3200		3.6553	1.4549	2.4520	1.0115	4.4022	2.0823	3.9631	2.0742	4.0496	2.1363
C5	2.4365	2.7633	1.4549	3.6553		4.8704	2.0985	3.9021	1.0914	5.7078	1.0884	4.9639	1.0964	5.2114
C6	2.4365	2.7633	3.6553	1.4549	4.8704		3.9021	2.0985	5.7078	1.0914	4.9639	1.0884	5.2114	1.0964
H7	2.0359	3.1251	1.0115	2.4520	2.0985	3.9021		2.3060	2.4026	4.4329	2.9582	4.3224	2.5639	4.4364
H8	2.0359	3.1251	2.4520	1.0115	3.9021	2.0985	2.3060		4.4329	2.4026	4.3224	2.9582	4.4364	2.5639
H9	3.3267	3.7946	2.0823	4.4022	1.0914	5.7078	2.4026	4.4329		6.4843	1.7770	5.9236	1.7836	6.0046
H10	3.3267	3.7946	4.4022	2.0823	5.7078	1.0914	4.4329	2.4026	6.4843		5.9236	1.7770	6.0046	1.7836
H11	2.6166	2.5218	2.0742	3.9631	1.0884	4.9639	2.9582	4.3224	1.7770	5.9236		4.9749	1.7682	5.1217
H12	2.6166	2.5218	3.9631	2.0742	4.9639	1.0884	4.3224	2.9582	5.9236	1.7770	4.9749		5.1217	1.7682
H13	2.8649	3.0242	2.1363	4.0496	1.0964	5.2114	2.5639	4.4364	1.7836	6.0046	1.7682	5.1217		5.7111
H14	2.8649	3.0242	4.0496	2.1363	5.2114	1.0964	4.4364	2.5639	6.0046	1.7836	5.1217	1.7682	5.7111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	118.030	C1	N3	H7	115.295
C1	N4	C6	118.030	C1	N4	H8	115.295
O2	C1	N3	123.232	O2	C1	N4	123.232
N3	C1	N4	113.536	N3	C5	H9	108.890
N3	C5	H11	108.425	N3	C5	H13	112.969
N4	C6	H10	108.890	N4	C6	H12	108.425
N4	C6	H14	112.969	C5	N3	H7	115.435
C6	N4	H8	115.435	H9	C5	H11	109.216
H9	C5	H13	109.220	H10	C6	H12	109.216
H10	C6	H14	109.220	H11	C5	H13	108.061
H12	C6	H14	108.061

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G*

States and conformations

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