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	hartrees
Energy at 0K	-303.014747
Energy at 298.15K	-303.025003
HF Energy	-302.067274
Nuclear repulsion energy	247.790466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3629	3449	21.69
2	A	3229	3069	9.12
3	A	3179	3021	7.79
4	A	3080	2927	4.55
5	A	1828	1737	210.29
6	A	1528	1452	12.01
7	A	1497	1423	0.13
8	A	1474	1401	2.98
9	A	1449	1377	2.84
10	A	1221	1160	0.70
11	A	1186	1127	0.32
12	A	1143	1086	7.54
13	A	935	888	0.26
14	A	598	568	136.76
15	A	462	439	24.47
16	A	227	216	2.48
17	A	204	194	0.29
18	A	113	107	0.62
19	B	3628	3448	12.47
20	B	3229	3069	6.27
21	B	3179	3021	47.46
22	B	3079	2926	105.39
23	B	1575	1497	342.67
24	B	1512	1437	1.99
25	B	1490	1416	73.17
26	B	1452	1380	9.54
27	B	1280	1216	207.64
28	B	1159	1102	22.18
29	B	1147	1090	8.48
30	B	1076	1023	1.16
31	B	775	737	40.75
32	B	747	710	16.23
33	B	518	493	82.86
34	B	324	308	39.40
35	B	126	120	6.39
36	B	121	115	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.095
O2	0.000	0.000	1.320
N3	0.000	1.160	-0.677
N4	0.000	-1.160	-0.677
C5	-0.290	2.406	0.020
C6	0.290	-2.406	0.020
H7	-0.485	1.051	-1.564
H8	0.485	-1.051	-1.564
H9	-0.103	3.248	-0.662
H10	0.103	-3.248	-0.662
H11	0.383	2.491	0.883
H12	-0.383	-2.491	0.883
H13	-1.327	2.465	0.395
H14	1.327	-2.465	0.395

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2245	1.3938	1.3938	2.4248	2.4248	2.0229	2.0229	3.3366	3.3366	2.6403	2.6403	2.8157	2.8157
O2	1.2245		2.3093	2.3093	2.7503	2.7503	3.1072	3.1072	3.8063	3.8063	2.5579	2.5579	2.9487	2.9487
N3	1.3938	2.3093		2.3209	1.4564	3.6456	1.0167	2.4315	2.0900	4.4095	2.0852	3.9888	2.1474	4.0067
N4	1.3938	2.3093	2.3209		3.6456	1.4564	2.4315	1.0167	4.4095	2.0900	3.9888	2.0852	4.0067	2.1474
C5	2.4248	2.7503	1.4564	3.6456		4.8473	2.0934	3.8807	1.0993	5.7086	1.0973	4.9735	1.1047	5.1464
C6	2.4248	2.7503	3.6456	1.4564	4.8473		3.8807	2.0934	5.7086	1.0993	4.9735	1.0973	5.1464	1.1047
H7	2.0229	3.1072	1.0167	2.4315	2.0934	3.8807		2.3147	2.4052	4.4314	2.9682	4.3057	2.5582	4.4137
H8	2.0229	3.1072	2.4315	1.0167	3.8807	2.0934	2.3147		4.4314	2.4052	4.3057	2.9682	4.4137	2.5582
H9	3.3366	3.8063	2.0900	4.4095	1.0993	5.7086	2.4052	4.4314		6.4990	1.7874	5.9496	1.7970	5.9833
H10	3.3366	3.8063	4.4095	2.0900	5.7086	1.0993	4.4314	2.4052	6.4990		5.9496	1.7874	5.9833	1.7970
H11	2.6403	2.5579	2.0852	3.9888	1.0973	4.9735	2.9682	4.3057	1.7874	5.9496		5.0404	1.7787	5.0687
H12	2.6403	2.5579	3.9888	2.0852	4.9735	1.0973	4.3057	2.9682	5.9496	1.7874	5.0404		5.0687	1.7787
H13	2.8157	2.9487	2.1474	4.0067	1.1047	5.1464	2.5582	4.4137	1.7970	5.9833	1.7787	5.0687		5.5994
H14	2.8157	2.9487	4.0067	2.1474	5.1464	1.1047	4.4137	2.5582	5.9833	1.7970	5.0687	1.7787	5.5994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.571	C1	N3	H7	113.178
C1	N4	C6	116.571	C1	N4	H8	113.178
O2	C1	N3	123.636	O2	C1	N4	123.636
N3	C1	N4	112.729	N3	C5	H9	108.926
N3	C5	H11	108.660	N3	C5	H13	113.249
N4	C6	H10	108.926	N4	C6	H12	108.660
N4	C6	H14	113.249	C5	N3	H7	114.485
C6	N4	H8	114.485	H9	C5	H11	108.922
H9	C5	H13	109.243	H10	C6	H12	108.922
H10	C6	H14	109.243	H11	C5	H13	107.758
H12	C6	H14	107.758

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

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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