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	hartrees
Energy at 0K	-303.210904
Energy at 298.15K	-303.221077
HF Energy	-302.078478
Nuclear repulsion energy	248.948349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3677	3484	25.89
2	A	3205	3036	8.40
3	A	3156	2990	8.09
4	A	3077	2916	3.50
5	A	1830	1734	221.56
6	A	1555	1473	14.26
7	A	1526	1445	0.15
8	A	1504	1425	4.29
9	A	1479	1401	4.62
10	A	1226	1162	0.06
11	A	1200	1137	1.09
12	A	1165	1104	6.90
13	A	942	892	0.40
14	A	560	531	92.36
15	A	446	422	42.39
16	A	227	215	3.30
17	A	198	187	0.08
18	A	104	98	0.36
19	B	3674	3481	11.52
20	B	3205	3036	5.19
21	B	3156	2990	40.96
22	B	3077	2915	84.47
23	B	1594	1511	343.60
24	B	1540	1459	3.86
25	B	1518	1438	68.98
26	B	1481	1403	9.42
27	B	1295	1227	198.54
28	B	1179	1117	23.11
29	B	1166	1104	8.57
30	B	1071	1015	1.17
31	B	791	750	29.83
32	B	750	710	25.93
33	B	504	477	91.63
34	B	323	306	44.63
35	B	125	118	7.95
36	B	112	106	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.090
O2	0.000	0.000	1.306
N3	0.000	1.156	-0.669
N4	0.000	-1.156	-0.669
C5	-0.266	2.407	0.024
C6	0.266	-2.407	0.024
H7	-0.431	1.066	-1.575
H8	0.431	-1.066	-1.575
H9	-0.060	3.237	-0.653
H10	0.060	-3.237	-0.653
H11	0.397	2.477	0.885
H12	-0.397	-2.477	0.885
H13	-1.298	2.484	0.385
H14	1.298	-2.484	0.385

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2152	1.3834	1.3834	2.4225	2.4225	2.0235	2.0235	3.3215	3.3215	2.6314	2.6314	2.8180	2.8180
O2	1.2152		2.2883	2.2883	2.7397	2.7397	3.1014	3.1014	3.7838	3.7838	2.5437	2.5437	2.9499	2.9499
N3	1.3834	2.2883		2.3125	1.4547	3.6398	1.0070	2.4380	2.0813	4.3933	2.0777	3.9715	2.1350	4.0058
N4	1.3834	2.2883	2.3125		3.6398	1.4547	2.4380	1.0070	4.3933	2.0813	3.9715	2.0777	4.0058	2.1350
C5	2.4225	2.7397	1.4547	3.6398		4.8433	2.0935	3.8864	1.0910	5.6935	1.0887	4.9609	1.0953	5.1476
C6	2.4225	2.7397	3.6398	1.4547	4.8433		3.8864	2.0935	5.6935	1.0910	4.9609	1.0887	5.1476	1.0953
H7	2.0235	3.1014	1.0070	2.4380	2.0935	3.8864		2.2993	2.3871	4.4274	2.9540	4.3132	2.5698	4.4080
H8	2.0235	3.1014	2.4380	1.0070	3.8864	2.0935	2.2993		4.4274	2.3871	4.3132	2.9540	4.4080	2.5698
H9	3.3215	3.7838	2.0813	4.3933	1.0910	5.6935	2.3871	4.4274		6.4744	1.7754	5.9267	1.7822	5.9706
H10	3.3215	3.7838	4.3933	2.0813	5.6935	1.0910	4.4274	2.3871	6.4744		5.9267	1.7754	5.9706	1.7822
H11	2.6314	2.5437	2.0777	3.9715	1.0887	4.9609	2.9540	4.3132	1.7754	5.9267		5.0172	1.7668	5.0669
H12	2.6314	2.5437	3.9715	2.0777	4.9609	1.0887	4.3132	2.9540	5.9267	1.7754	5.0172		5.0669	1.7668
H13	2.8180	2.9499	2.1350	4.0058	1.0953	5.1476	2.5698	4.4080	1.7822	5.9706	1.7668	5.0669		5.6052
H14	2.8180	2.9499	4.0058	2.1350	5.1476	1.0953	4.4080	2.5698	5.9706	1.7822	5.0669	1.7668	5.6052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.188	C1	N3	H7	114.765
C1	N4	C6	117.188	C1	N4	H8	114.765
O2	C1	N3	123.299	O2	C1	N4	123.299
N3	C1	N4	113.403	N3	C5	H9	108.850
N3	C5	H11	108.697	N3	C5	H13	112.948
N4	C6	H10	108.850	N4	C6	H12	108.697
N4	C6	H14	112.948	C5	N3	H7	115.314
C6	N4	H8	115.314	H9	C5	H11	109.079
H9	C5	H13	109.210	H10	C6	H12	109.079
H10	C6	H14	109.210	H11	C5	H13	107.993
H12	C6	H14	107.993

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

using model chemistry: QCISD/6-31G(2df,p)

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(2df,p)

States and conformations

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