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	hartrees
Energy at 0K	-303.254332
Energy at 298.15K	-303.264523
HF Energy	-302.079746
Nuclear repulsion energy	250.119682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3730	3730	34.78
2	A	3243	3243	7.20
3	A	3197	3197	7.79
4	A	3117	3117	3.51
5	A	1877	1877	256.29
6	A	1574	1574	15.16
7	A	1543	1543	0.17
8	A	1519	1519	4.82
9	A	1493	1493	3.51
10	A	1245	1245	0.37
11	A	1219	1219	1.64
12	A	1181	1181	5.58
13	A	959	959	1.13
14	A	549	549	69.31
15	A	433	433	62.37
16	A	228	228	3.69
17	A	202	202	0.00
18	A	105	105	0.22
19	B	3727	3727	13.00
20	B	3242	3242	4.89
21	B	3198	3198	34.17
22	B	3117	3117	75.42
23	B	1618	1618	405.58
24	B	1559	1559	4.55
25	B	1536	1536	68.87
26	B	1495	1495	9.72
27	B	1315	1315	179.00
28	B	1192	1192	20.59
29	B	1178	1178	5.21
30	B	1089	1089	0.84
31	B	817	817	26.28
32	B	756	756	24.14
33	B	494	494	99.66
34	B	321	321	48.61
35	B	127	127	9.47
36	B	113	113	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.087
O2	0.000	0.000	1.294
N3	0.000	1.151	-0.665
N4	0.000	-1.151	-0.665
C5	-0.238	2.401	0.028
C6	0.238	-2.401	0.028
H7	-0.409	1.071	-1.577
H8	0.409	-1.071	-1.577
H9	-0.060	3.224	-0.660
H10	0.060	-3.224	-0.660
H11	0.455	2.482	0.859
H12	-0.455	-2.482	0.859
H13	-1.250	2.479	0.426
H14	1.250	-2.479	0.426

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2072	1.3746	1.3746	2.4132	2.4132	2.0204	2.0204	3.3097	3.3097	2.6386	2.6386	2.7970	2.7970
O2	1.2072		2.2719	2.2719	2.7247	2.7247	3.0913	3.0913	3.7703	3.7703	2.5605	2.5605	2.9088	2.9088
N3	1.3746	2.2719		2.3019	1.4484	3.6264	1.0029	2.4365	2.0737	4.3752	2.0735	3.9655	2.1252	3.9910
N4	1.3746	2.2719	2.3019		3.6264	1.4484	2.4365	1.0029	4.3752	2.0737	3.9655	2.0735	3.9910	2.1252
C5	2.4132	2.7247	1.4484	3.6264		4.8250	2.0910	3.8790	1.0872	5.6743	1.0851	4.9576	1.0912	5.1170
C6	2.4132	2.7247	3.6264	1.4484	4.8250		3.8790	2.0910	5.6743	1.0872	4.9576	1.0851	5.1170	1.0912
H7	2.0204	3.0913	1.0029	2.4365	2.0910	3.8790		2.2932	2.3657	4.4165	2.9444	4.3077	2.5885	4.4009
H8	2.0204	3.0913	2.4365	1.0029	3.8790	2.0910	2.2932		4.4165	2.3657	4.3077	2.9444	4.4009	2.5885
H9	3.3097	3.7703	2.0737	4.3752	1.0872	5.6743	2.3657	4.4165		6.4487	1.7673	5.9175	1.7754	5.9512
H10	3.3097	3.7703	4.3752	2.0737	5.6743	1.0872	4.4165	2.3657	6.4487		5.9175	1.7673	5.9512	1.7754
H11	2.6386	2.5605	2.0735	3.9655	1.0851	4.9576	2.9444	4.3077	1.7673	5.9175		5.0464	1.7599	5.0424
H12	2.6386	2.5605	3.9655	2.0735	4.9576	1.0851	4.3077	2.9444	5.9175	1.7673	5.0464		5.0424	1.7599
H13	2.7970	2.9088	2.1252	3.9910	1.0912	5.1170	2.5885	4.4009	1.7754	5.9512	1.7599	5.0424		5.5527
H14	2.7970	2.9088	3.9910	2.1252	5.1170	1.0912	4.4009	2.5885	5.9512	1.7754	5.0424	1.7599	5.5527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.461	C1	N3	H7	115.495
C1	N4	C6	117.461	C1	N4	H8	115.495
O2	C1	N3	123.142	O2	C1	N4	123.142
N3	C1	N4	113.716	N3	C5	H9	108.900
N3	C5	H11	109.008	N3	C5	H13	112.859
N4	C6	H10	108.900	N4	C6	H12	109.008
N4	C6	H14	112.859	C5	N3	H7	115.883
C6	N4	H8	115.883	H9	C5	H11	108.890
H9	C5	H13	109.176	H10	C6	H12	108.890
H10	C6	H14	109.176	H11	C5	H13	107.936
H12	C6	H14	107.936

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G(2df,p)

States and conformations

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