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	hartrees
Energy at 0K	-301.003869
Energy at 298.15K	-301.013590
HF Energy	-300.359767
Nuclear repulsion energy	245.166183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3588	3478	21.63
2	A	3134	3038	1.60
3	A	3054	2960	0.00
4	A	3012	2920	1.62
5	A	1708	1655	119.05
6	A	1599	1550	28.91
7	A	1588	1539	0.00
8	A	1530	1483	21.83
9	A	1477	1431	63.51
10	A	1203	1166	6.60
11	A	1179	1142	0.00
12	A	1167	1131	2.55
13	A	915	887	5.98
14	A	504	489	1.90
15	A	244	237	0.83
16	A	210	203	0.00
17	A	167	162	0.00
18	A	30	29	0.00
19	B	3581	3470	6.45
20	B	3134	3037	0.04
21	B	3054	2960	100.22
22	B	3011	2918	123.93
23	B	1610	1561	62.74
24	B	1589	1540	10.76
25	B	1550	1503	314.98
26	B	1491	1445	9.95
27	B	1252	1214	378.10
28	B	1186	1149	3.44
29	B	1179	1143	47.44
30	B	1023	992	3.17
31	B	755	732	38.39
32	B	711	689	7.93
33	B	474	460	330.41
34	B	382	371	36.13
35	B	145	140	4.88
36	B	104	101	16.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.091
O2	0.000	0.000	1.345
N3	0.000	1.166	-0.665
N4	0.000	-1.166	-0.665
C5	-0.001	2.478	0.012
C6	0.001	-2.478	0.012
H7	0.001	1.129	-1.677
H8	-0.001	-1.129	-1.677
H9	0.896	3.063	-0.242
H10	-0.896	-3.063	-0.242
H11	-0.001	2.262	1.086
H12	0.001	-2.262	1.086
H13	-0.897	3.063	-0.243
H14	0.897	-3.063	-0.243

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2544	1.3894	1.3894	2.4792	2.4792	2.0975	2.0975	3.2089	3.2089	2.4710	2.4710	3.2091	3.2091
O2	1.2544		2.3237	2.3237	2.8138	2.8138	3.2261	3.2261	3.5645	3.5645	2.2765	2.2765	3.5650	3.5650
N3	1.3894	2.3237		2.3321	1.4763	3.7064	1.0128	2.5085	2.1404	4.3438	2.0652	3.8489	2.1403	4.3437
N4	1.3894	2.3237	2.3321		3.7064	1.4763	2.5085	1.0128	4.3438	2.1404	3.8489	2.0652	4.3437	2.1403
C5	2.4792	2.8138	1.4763	3.7064		4.9560	2.1615	3.9831	1.1005	5.6189	1.0953	4.8598	1.1005	5.6190
C6	2.4792	2.8138	3.7064	1.4763	4.9560		3.9831	2.1615	5.6189	1.1005	4.8598	1.0953	5.6190	1.1005
H7	2.0975	3.2261	1.0128	2.5085	2.1615	3.9831		2.2584	2.5693	4.5211	2.9858	4.3739	2.5694	4.5204
H8	2.0975	3.2261	2.5085	1.0128	3.9831	2.1615	2.2584		4.5211	2.5693	4.3739	2.9858	4.5204	2.5694
H9	3.2089	3.5645	2.1404	4.3438	1.1005	5.6189	2.5693	4.5211		6.3833	1.7918	5.5605	1.7931	6.1263
H10	3.2089	3.5645	4.3438	2.1404	5.6189	1.1005	4.5211	2.5693	6.3833		5.5605	1.7918	6.1263	1.7931
H11	2.4710	2.2765	2.0652	3.8489	1.0953	4.8598	2.9858	4.3739	1.7918	5.5605		4.5235	1.7918	5.5611
H12	2.4710	2.2765	3.8489	2.0652	4.8598	1.0953	4.3739	2.9858	5.5605	1.7918	4.5235		5.5611	1.7918
H13	3.2091	3.5650	2.1403	4.3437	1.1005	5.6190	2.5694	4.5204	1.7931	6.1263	1.7918	5.5611		6.3833
H14	3.2091	3.5650	4.3437	2.1403	5.6190	1.1005	4.5204	2.5694	6.1263	1.7931	5.5611	1.7918	6.3833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.769	C1	N3	H7	120.856
C1	N4	C6	119.769	C1	N4	H8	120.856
O2	C1	N3	122.940	O2	C1	N4	122.940
N3	C1	N4	114.120	N3	C5	H9	111.498
N3	C5	H11	105.903	N3	C5	H13	111.496
N4	C6	H10	111.498	N4	C6	H12	105.903
N4	C6	H14	111.496	C5	N3	H7	119.375
C6	N4	H8	119.375	H9	C5	H11	109.376
H9	C5	H13	109.116	H10	C6	H12	109.376
H10	C6	H14	109.116	H11	C5	H13	109.380
H12	C6	H14	109.380

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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