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	hartrees
Energy at 0K	-303.111028
Energy at 298.15K	-303.121332
HF Energy	-302.122963
Nuclear repulsion energy	248.409120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3647	3465	23.91
2	A	3208	3049	11.31
3	A	3161	3003	8.35
4	A	3070	2917	4.93
5	A	1816	1725	222.49
6	A	1546	1469	11.96
7	A	1516	1441	0.12
8	A	1488	1414	6.39
9	A	1469	1396	3.56
10	A	1221	1160	0.18
11	A	1193	1133	0.04
12	A	1157	1099	7.93
13	A	938	891	0.24
14	A	595	565	146.59
15	A	465	442	24.17
16	A	228	216	2.94
17	A	203	192	0.28
18	A	122	116	0.64
19	B	3645	3463	12.48
20	B	3208	3049	6.94
21	B	3161	3004	47.46
22	B	3069	2916	99.32
23	B	1576	1497	315.91
24	B	1531	1455	9.71
25	B	1509	1434	83.07
26	B	1473	1400	8.67
27	B	1276	1212	218.80
28	B	1173	1114	35.82
29	B	1158	1100	0.47
30	B	1068	1015	0.94
31	B	776	737	42.57
32	B	748	711	15.76
33	B	520	494	92.82
34	B	325	308	39.96
35	B	132	126	1.44
36	B	126	120	6.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.095
O2	0.000	0.000	1.314
N3	0.000	1.158	-0.674
N4	0.000	-1.158	-0.674
C5	-0.269	2.409	0.022
C6	0.269	-2.409	0.022
H7	-0.476	1.055	-1.560
H8	0.476	-1.055	-1.560
H9	-0.083	3.238	-0.663
H10	0.083	-3.238	-0.663
H11	0.410	2.487	0.870
H12	-0.410	-2.487	0.870
H13	-1.296	2.471	0.402
H14	1.296	-2.471	0.402

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2195	1.3900	1.3900	2.4248	2.4248	2.0192	2.0192	3.3263	3.3263	2.6370	2.6370	2.8072	2.8072
O2	1.2195		2.3011	2.3011	2.7467	2.7467	3.0982	3.0982	3.7947	3.7947	2.5594	2.5594	2.9355	2.9355
N3	1.3900	2.3011		2.3158	1.4566	3.6438	1.0103	2.4308	2.0816	4.3965	2.0782	3.9796	2.1361	4.0011
N4	1.3900	2.3011	2.3158		3.6438	1.4566	2.4308	1.0103	4.3965	2.0816	3.9796	2.0782	4.0011	2.1361
C5	2.4248	2.7467	1.4566	3.6438		4.8473	2.0916	3.8803	1.0915	5.6987	1.0893	4.9705	1.0963	5.1388
C6	2.4248	2.7467	3.6438	1.4566	4.8473		3.8803	2.0916	5.6987	1.0915	4.9705	1.0893	5.1388	1.0963
H7	2.0192	3.0982	1.0103	2.4308	2.0916	3.8803		2.3156	2.3919	4.4213	2.9557	4.2959	2.5545	4.4074
H8	2.0192	3.0982	2.4308	1.0103	3.8803	2.0916	2.3156		4.4213	2.3919	4.2959	2.9557	4.4074	2.5545
H9	3.3263	3.7947	2.0816	4.3965	1.0915	5.6987	2.3919	4.4213		6.4777	1.7766	5.9354	1.7869	5.9690
H10	3.3263	3.7947	4.3965	2.0816	5.6987	1.0915	4.4213	2.3919	6.4777		5.9354	1.7766	5.9690	1.7869
H11	2.6370	2.5594	2.0782	3.9796	1.0893	4.9705	2.9557	4.2959	1.7766	5.9354		5.0410	1.7685	5.0583
H12	2.6370	2.5594	3.9796	2.0782	4.9705	1.0893	4.2959	2.9557	5.9354	1.7766	5.0410		5.0583	1.7685
H13	2.8072	2.9355	2.1361	4.0011	1.0963	5.1388	2.5545	4.4074	1.7869	5.9690	1.7685	5.0583		5.5806
H14	2.8072	2.9355	4.0011	2.1361	5.1388	1.0963	4.4074	2.5545	5.9690	1.7869	5.0583	1.7685	5.5806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.795	C1	N3	H7	113.596
C1	N4	C6	116.795	C1	N4	H8	113.596
O2	C1	N3	123.592	O2	C1	N4	123.592
N3	C1	N4	112.816	N3	C5	H9	108.709
N3	C5	H11	108.569	N3	C5	H13	112.835
N4	C6	H10	108.709	N4	C6	H12	108.569
N4	C6	H14	112.835	C5	N3	H7	114.757
C6	N4	H8	114.757	H9	C5	H11	109.111
H9	C5	H13	109.524	H10	C6	H12	109.111
H10	C6	H14	109.524	H11	C5	H13	108.031
H12	C6	H14	108.031

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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