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	hartrees
Energy at 0K	-302.164584
Energy at 298.15K	-302.174975
HF Energy	-302.164584
Nuclear repulsion energy	250.550855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3860	3514	42.74
2	A	3275	2981	20.40
3	A	3230	2940	19.90
4	A	3167	2883	6.39
5	A	1907	1736	374.64
6	A	1658	1509	35.81
7	A	1621	1476	2.01
8	A	1606	1462	1.64
9	A	1579	1438	4.72
10	A	1308	1191	0.20
11	A	1264	1151	1.18
12	A	1242	1131	5.64
13	A	995	906	2.66
14	A	547	498	37.74
15	A	412	375	62.05
16	A	235	214	5.79
17	A	203	185	0.02
18	A	124	113	0.12
19	B	3855	3509	9.14
20	B	3275	2981	12.85
21	B	3230	2940	62.29
22	B	3166	2882	117.47
23	B	1707	1554	471.12
24	B	1632	1486	0.25
25	B	1606	1462	39.41
26	B	1583	1441	8.87
27	B	1374	1251	269.77
28	B	1260	1147	28.65
29	B	1246	1134	3.94
30	B	1101	1002	4.70
31	B	870	792	37.30
32	B	785	715	19.45
33	B	507	462	119.26
34	B	339	309	44.36
35	B	138	125	0.35
36	B	126	115	11.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.095
O2	0.000	0.000	1.292
N3	0.000	1.149	-0.644
N4	0.000	-1.149	-0.644
C5	-0.207	2.421	0.015
C6	0.207	-2.421	0.015
H7	-0.337	1.075	-1.573
H8	0.337	-1.075	-1.573
H9	-0.053	3.210	-0.708
H10	0.053	-3.210	-0.708
H11	0.508	2.537	0.813
H12	-0.508	-2.537	0.813
H13	-1.202	2.513	0.435
H14	1.202	-2.513	0.435

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.1974	1.3661	1.3661	2.4309	2.4309	2.0126	2.0126	3.3093	3.3093	2.6852	2.6852	2.8069	2.8069
O2	1.1974		2.2514	2.2514	2.7449	2.7449	3.0787	3.0787	3.7824	3.7824	2.6312	2.6312	2.9152	2.9152
N3	1.3661	2.2514		2.2982	1.4471	3.6361	0.9910	2.4340	2.0628	4.3601	2.0755	3.9960	2.1144	4.0029
N4	1.3661	2.2514	2.2982		3.6361	1.4471	2.4340	0.9910	4.3601	2.0628	3.9960	2.0755	4.0029	2.1144
C5	2.4309	2.7449	1.4471	3.6361		4.8592	2.0854	3.8780	1.0811	5.6831	1.0782	5.0305	1.0842	5.1487
C6	2.4309	2.7449	3.6361	1.4471	4.8592		3.8780	2.0854	5.6831	1.0811	5.0305	1.0782	5.1487	1.0842
H7	2.0126	3.0787	0.9910	2.4340	2.0854	3.8780		2.2537	2.3212	4.3893	2.9233	4.3325	2.6167	4.3908
H8	2.0126	3.0787	2.4340	0.9910	3.8780	2.0854	2.2537		4.3893	2.3212	4.3325	2.9233	4.3908	2.6167
H9	3.3093	3.7824	2.0628	4.3601	1.0811	5.6831	2.3212	4.3893		6.4213	1.7555	5.9622	1.7636	5.9700
H10	3.3093	3.7824	4.3601	2.0628	5.6831	1.0811	4.3893	2.3212	6.4213		5.9622	1.7555	5.9700	1.7636
H11	2.6852	2.6312	2.0755	3.9960	1.0782	5.0305	2.9233	4.3325	1.7555	5.9622		5.1745	1.7522	5.1118
H12	2.6852	2.6312	3.9960	2.0755	5.0305	1.0782	4.3325	2.9233	5.9622	1.7555	5.1745		5.1118	1.7522
H13	2.8069	2.9152	2.1144	4.0029	1.0842	5.1487	2.6167	4.3908	1.7636	5.9700	1.7522	5.1118		5.5724
H14	2.8069	2.9152	4.0029	2.1144	5.1487	1.0842	4.3908	2.6167	5.9700	1.7636	5.1118	1.7522	5.5724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.536	C1	N3	H7	116.367
C1	N4	C6	119.536	C1	N4	H8	116.367
O2	C1	N3	122.735	O2	C1	N4	122.735
N3	C1	N4	114.531	N3	C5	H9	108.486
N3	C5	H11	109.687	N3	C5	H13	112.500
N4	C6	H10	108.486	N4	C6	H12	109.687
N4	C6	H14	112.500	C5	N3	H7	116.335
C6	N4	H8	116.335	H9	C5	H11	108.780
H9	C5	H13	109.074	H10	C6	H12	108.780
H10	C6	H14	109.074	H11	C5	H13	108.250
H12	C6	H14	108.250

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

using model chemistry: HF/aug-cc-pVTZ

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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Number	Element	Mulliken
1	C	0.328
2	O	-0.734
3	N	-0.062
4	N	-0.062
5	C	-0.868
6	C	-0.868
7	H	0.089
8	H	0.089
9	H	0.361
10	H	0.361
11	H	0.379
12	H	0.379
13	H	0.304
14	H	0.304

	x	y	z
x	6.318	-0.309	0.000
y	-0.309	9.721	0.000
z	0.000	0.000	7.868

<r²>	190.308
(<r²>)^1/2	13.795

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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