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	hartrees
Energy at 0K	-303.047984
Energy at 298.15K	-303.058272
HF Energy	-302.107648
Nuclear repulsion energy	248.431910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3652	3470	19.65
2	A	3216	3056	10.98
3	A	3167	3010	9.43
4	A	3075	2922	4.87
5	A	1815	1725	219.98
6	A	1564	1487	17.08
7	A	1534	1458	0.17
8	A	1512	1437	4.39
9	A	1488	1414	6.73
10	A	1227	1166	0.03
11	A	1197	1138	0.37
12	A	1163	1105	8.62
13	A	941	895	0.31
14	A	595	566	151.63
15	A	464	441	28.03
16	A	230	219	3.35
17	A	201	191	0.20
18	A	118	112	0.37
19	B	3649	3468	11.50
20	B	3216	3056	7.53
21	B	3167	3010	47.35
22	B	3075	2922	99.75
23	B	1594	1515	340.42
24	B	1547	1470	11.05
25	B	1526	1450	78.41
26	B	1491	1417	6.76
27	B	1287	1223	219.48
28	B	1178	1119	27.57
29	B	1167	1109	6.77
30	B	1070	1017	0.76
31	B	779	741	48.53
32	B	751	714	17.15
33	B	523	497	110.08
34	B	327	311	42.51
35	B	130	124	3.31
36	B	126	120	4.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.092
O2	0.000	0.000	1.312
N3	0.000	1.158	-0.675
N4	0.000	-1.158	-0.675
C5	-0.249	2.411	0.025
C6	0.249	-2.411	0.025
H7	-0.464	1.067	-1.566
H8	0.464	-1.067	-1.566
H9	-0.064	3.238	-0.662
H10	0.064	-3.238	-0.662
H11	0.440	2.485	0.863
H12	-0.440	-2.485	0.863
H13	-1.270	2.483	0.417
H14	1.270	-2.483	0.417

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2205	1.3890	1.3890	2.4248	2.4248	2.0255	2.0255	3.3248	3.3248	2.6389	2.6389	2.8074	2.8074
O2	1.2205		2.2999	2.2999	2.7445	2.7445	3.1046	3.1046	3.7924	3.7924	2.5631	2.5631	2.9287	2.9287
N3	1.3890	2.2999		2.3169	1.4562	3.6459	1.0091	2.4421	2.0802	4.3966	2.0782	3.9791	2.1347	4.0076
N4	1.3890	2.2999	2.3169		3.6459	1.4562	2.4421	1.0091	4.3966	2.0802	3.9791	2.0782	4.0076	2.1347
C5	2.4248	2.7445	1.4562	3.6459		4.8478	2.0935	3.8909	1.0905	5.6989	1.0879	4.9710	1.0952	5.1390
C6	2.4248	2.7445	3.6459	1.4562	4.8478		3.8909	2.0935	5.6989	1.0905	4.9710	1.0879	5.1390	1.0952
H7	2.0255	3.1046	1.0091	2.4421	2.0935	3.8909		2.3277	2.3850	4.4305	2.9545	4.3038	2.5660	4.4204
H8	2.0255	3.1046	2.4421	1.0091	3.8909	2.0935	2.3277		4.4305	2.3850	4.3038	2.9545	4.4204	2.5660
H9	3.3248	3.7924	2.0802	4.3966	1.0905	5.6989	2.3850	4.4305		6.4765	1.7737	5.9343	1.7855	5.9718
H10	3.3248	3.7924	4.3966	2.0802	5.6989	1.0905	4.4305	2.3850	6.4765		5.9343	1.7737	5.9718	1.7855
H11	2.6389	2.5631	2.0782	3.9791	1.0879	4.9710	2.9545	4.3038	1.7737	5.9343		5.0471	1.7666	5.0563
H12	2.6389	2.5631	3.9791	2.0782	4.9710	1.0879	4.3038	2.9545	5.9343	1.7737	5.0471		5.0563	1.7666
H13	2.8074	2.9287	2.1347	4.0076	1.0952	5.1390	2.5660	4.4204	1.7855	5.9718	1.7666	5.0563		5.5769
H14	2.8074	2.9287	4.0076	2.1347	5.1390	1.0952	4.4204	2.5660	5.9718	1.7855	5.0563	1.7666	5.5769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.897	C1	N3	H7	114.336
C1	N4	C6	116.897	C1	N4	H8	114.336
O2	C1	N3	123.486	O2	C1	N4	123.486
N3	C1	N4	113.029	N3	C5	H9	108.683
N3	C5	H11	108.676	N3	C5	H13	112.816
N4	C6	H10	108.683	N4	C6	H12	108.676
N4	C6	H14	112.816	C5	N3	H7	115.039
C6	N4	H8	115.039	H9	C5	H11	109.016
H9	C5	H13	109.549	H10	C6	H12	109.016
H10	C6	H14	109.549	H11	C5	H13	108.035
H12	C6	H14	108.035

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-)