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	hartrees
Energy at 0K	-302.300811
Energy at 298.15K	-302.310764
HF Energy	-302.300811
Nuclear repulsion energy	249.521650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3556	3490	19.14
2	A	3079	3021	0.40
3	A	3031	2975	0.85
4	A	2963	2908	0.15
5	A	1792	1758	191.27
6	A	1484	1457	26.15
7	A	1445	1418	0.01
8	A	1437	1410	0.69
9	A	1363	1338	31.85
10	A	1216	1193	3.00
11	A	1140	1119	7.86
12	A	1109	1088	2.60
13	A	926	908	6.85
14	A	511	502	4.87
15	A	314	308	28.52
16	A	240	236	1.19
17	A	170	167	0.14
18	A	125	122	2.74
19	B	3552	3486	9.88
20	B	3078	3020	0.25
21	B	3031	2975	57.18
22	B	2961	2906	152.97
23	B	1571	1541	430.00
24	B	1448	1421	32.87
25	B	1444	1417	79.45
26	B	1371	1346	8.21
27	B	1222	1199	133.49
28	B	1122	1101	3.56
29	B	1113	1093	23.22
30	B	1081	1061	30.57
31	B	738	724	4.48
32	B	695	682	11.60
33	B	470	461	165.40
34	B	357	350	63.34
35	B	156	153	3.46
36	B	107	105	12.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.088
O2	0.000	0.000	1.317
N3	0.000	1.153	-0.655
N4	0.000	-1.153	-0.655
C5	-0.136	2.412	0.009
C6	0.136	-2.412	0.009
H7	-0.244	1.093	-1.641
H8	0.244	-1.093	-1.641
H9	0.632	3.136	-0.315
H10	-0.632	-3.136	-0.315
H11	-0.004	2.200	1.083
H12	0.004	-2.200	1.083
H13	-1.134	2.868	-0.132
H14	1.134	-2.868	-0.132

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2293	1.3717	1.3717	2.4176	2.4176	2.0602	2.0602	3.2243	3.2243	2.4149	2.4149	3.0917	3.0917
O2	1.2293		2.2846	2.2846	2.7478	2.7478	3.1635	3.1635	3.5914	3.5914	2.2127	2.2127	3.4077	3.4077
N3	1.3717	2.2846		2.3062	1.4302	3.6294	1.0180	2.4650	2.1087	4.3486	2.0292	3.7771	2.1212	4.2102
N4	1.3717	2.2846	2.3062		3.6294	1.4302	2.4650	1.0180	4.3486	2.1087	3.7771	2.0292	4.2102	2.1212
C5	2.4176	2.7478	1.4302	3.6294		4.8327	2.1159	3.8929	1.1038	5.5800	1.1029	4.7383	1.1060	5.4327
C6	2.4176	2.7478	3.6294	1.4302	4.8327		3.8929	2.1159	5.5800	1.1038	4.7383	1.1029	5.4327	1.1060
H7	2.0602	3.1635	1.0180	2.4650	2.1159	3.8929		2.2391	2.5885	4.4488	2.9509	4.2812	2.4941	4.4565
H8	2.0602	3.1635	2.4650	1.0180	3.8929	2.1159	2.2391		4.4488	2.5885	4.2812	2.9509	4.4565	2.4941
H9	3.2243	3.5914	2.1087	4.3486	1.1038	5.5800	2.5885	4.4488		6.3980	1.7986	5.5520	1.7957	6.0274
H10	3.2243	3.5914	4.3486	2.1087	5.5800	1.1038	4.4488	2.5885	6.3980		5.5520	1.7986	6.0274	1.7957
H11	2.4149	2.2127	2.0292	3.7771	1.1029	4.7383	2.9509	4.2812	1.7986	5.5520		4.4006	1.7892	5.3346
H12	2.4149	2.2127	3.7771	2.0292	4.7383	1.1029	4.2812	2.9509	5.5520	1.7986	4.4006		5.3346	1.7892
H13	3.0917	3.4077	2.1212	4.2102	1.1060	5.4327	2.4941	4.4565	1.7957	6.0274	1.7892	5.3346		6.1677
H14	3.0917	3.4077	4.2102	2.1212	5.4327	1.1060	4.4565	2.4941	6.0274	1.7957	5.3346	1.7892	6.1677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.264	C1	N3	H7	118.360
C1	N4	C6	119.264	C1	N4	H8	118.360
O2	C1	N3	122.793	O2	C1	N4	122.793
N3	C1	N4	114.415	N3	C5	H9	111.994
N3	C5	H11	105.739	N3	C5	H13	112.893
N4	C6	H10	111.994	N4	C6	H12	105.739
N4	C6	H14	112.893	C5	N3	H7	118.638
C6	N4	H8	118.638	H9	C5	H11	109.182
H9	C5	H13	108.700	H10	C6	H12	109.182
H10	C6	H14	108.700	H11	C5	H13	108.185
H12	C6	H14	108.185

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

using model chemistry: LSDA/6-31G**

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	0.649
2	O	-0.478
3	N	-0.522
4	N	-0.522
5	C	-0.310
6	C	-0.310
7	H	0.267
8	H	0.267
9	H	0.143
10	H	0.143
11	H	0.193
12	H	0.193
13	H	0.143
14	H	0.143

	x	y	z
x	5.097	-0.300	0.000
y	-0.300	10.673	0.000
z	0.000	0.000	7.163

<r²>	189.934
(<r²>)^1/2	13.782

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

using model chemistry: LSDA/6-31G**

States and conformations

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