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	hartrees
Energy at 0K	-299.887066
Energy at 298.15K	-299.896630
HF Energy	-299.887066
Nuclear repulsion energy	241.211443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3712	0.61
2	A	3520	3520	0.35
3	A	3476	3476	0.86
4	A	3318	3318	0.39
5	A	1934	1934	72.21
6	A	1685	1685	5.93
7	A	1667	1667	0.07
8	A	1582	1582	4.44
9	A	1561	1561	0.29
10	A	1259	1259	2.99
11	A	1219	1219	0.01
12	A	1186	1186	5.90
13	A	950	950	1.30
14	A	614	614	135.53
15	A	449	449	8.57
16	A	213	213	0.52
17	A	177	177	3.63
18	A	107	107	1.64
19	B	3712	3712	3.25
20	B	3520	3520	0.18
21	B	3476	3476	5.25
22	B	3318	3318	18.23
23	B	1686	1686	4.72
24	B	1666	1666	17.57
25	B	1589	1589	85.06
26	B	1581	1581	33.58
27	B	1282	1282	226.94
28	B	1204	1204	23.07
29	B	1194	1194	21.92
30	B	1111	1111	19.80
31	B	777	777	57.56
32	B	657	657	19.44
33	B	492	492	55.92
34	B	275	275	27.70
35	B	119	119	1.51
36	B	96	96	2.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.141
O2	0.000	0.000	1.386
N3	0.000	1.199	-0.699
N4	0.000	-1.199	-0.699
C5	-0.468	2.436	-0.004
C6	0.468	-2.436	-0.004
H7	-0.549	1.034	-1.577
H8	0.549	-1.034	-1.577
H9	-0.246	3.310	-0.639
H10	0.246	-3.310	-0.639
H11	0.085	2.529	0.944
H12	-0.085	-2.529	0.944
H13	-1.551	2.425	0.223
H14	1.551	-2.425	0.223

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2451	1.4640	1.4640	2.4851	2.4851	2.0786	2.0786	3.4093	3.4093	2.6544	2.6544	2.8800	2.8800
O2	1.2451		2.4053	2.4053	2.8439	2.8439	3.1856	3.1856	3.8879	3.8879	2.5685	2.5685	3.1047	3.1047
N3	1.4640	2.4053		2.3983	1.4940	3.7307	1.0483	2.4615	2.1257	4.5160	2.1149	4.0745	2.1818	4.0487
N4	1.4640	2.4053	2.3983		3.7307	1.4940	2.4615	1.0483	4.5160	2.1257	4.0745	2.1149	4.0487	2.1818
C5	2.4851	2.8439	1.4940	3.7307		4.9617	2.1083	3.9433	1.1023	5.8249	1.1013	5.0691	1.1070	5.2690
C6	2.4851	2.8439	3.7307	1.4940	4.9617		3.9433	2.1083	5.8249	1.1023	5.0691	1.1013	5.2690	1.1070
H7	2.0786	3.1856	1.0483	2.4615	2.1083	3.9433		2.3414	2.4799	4.5143	2.9978	4.3886	2.4859	4.4291
H8	2.0786	3.1856	2.4615	1.0483	3.9433	2.1083	2.3414		4.5143	2.4799	4.3886	2.9978	4.4291	2.4859
H9	3.4093	3.8879	2.1257	4.5160	1.1023	5.8249	2.4799	4.5143		6.6377	1.7955	6.0512	1.7974	6.0714
H10	3.4093	3.8879	4.5160	2.1257	5.8249	1.1023	4.5143	2.4799	6.6377		6.0512	1.7955	6.0714	1.7974
H11	2.6544	2.5685	2.1149	4.0745	1.1013	5.0691	2.9978	4.3886	1.7955	6.0512		5.0602	1.7907	5.2162
H12	2.6544	2.5685	4.0745	2.1149	5.0691	1.1013	4.3886	2.9978	6.0512	1.7955	5.0602		5.2162	1.7907
H13	2.8800	3.1047	2.1818	4.0487	1.1070	5.2690	2.4859	4.4291	1.7974	6.0714	1.7907	5.2162		5.7576
H14	2.8800	3.1047	4.0487	2.1818	5.2690	1.1070	4.4291	2.4859	6.0714	1.7974	5.2162	1.7907	5.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	114.299	C1	N3	H7	110.564
C1	N4	C6	114.299	C1	N4	H8	110.564
O2	C1	N3	125.007	O2	C1	N4	125.007
N3	C1	N4	109.986	N3	C5	H9	108.984
N3	C5	H11	108.199	N3	C5	H13	113.196
N4	C6	H10	108.984	N4	C6	H12	108.199
N4	C6	H14	113.196	C5	N3	H7	110.830
C6	N4	H8	110.830	H9	C5	H11	109.137
H9	C5	H13	108.890	H10	C6	H12	109.137
H10	C6	H14	108.890	H11	C5	H13	108.368
H12	C6	H14	108.368

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

using model chemistry: wB97X-D/STO-3G

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	0.278
2	O	-0.243
3	N	-0.318
4	N	-0.318
5	C	-0.142
6	C	-0.142
7	H	0.182
8	H	0.182
9	H	0.085
10	H	0.085
11	H	0.100
12	H	0.100
13	H	0.077
14	H	0.077

	x	y	z
x	2.355	-0.476	0.000
y	-0.476	5.678	0.000
z	0.000	0.000	4.553

<r²>	198.572
(<r²>)^1/2	14.092

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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