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	hartrees
Energy at 0K	-303.086173
Energy at 298.15K	-303.096341
HF Energy	-302.086462
Nuclear repulsion energy	247.314589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3510	30.78
2	A	3205	3106	10.83
3	A	3164	3067	7.14
4	A	3071	2977	5.29
5	A	1750	1696	256.62
6	A	1520	1473	11.69
7	A	1487	1441	0.35
8	A	1468	1423	4.17
9	A	1440	1396	6.01
10	A	1206	1169	0.46
11	A	1178	1142	0.87
12	A	1137	1102	6.12
13	A	923	895	1.21
14	A	548	531	87.81
15	A	431	418	47.31
16	A	222	215	4.67
17	A	192	186	0.08
18	A	124	121	0.71
19	B	3620	3509	11.65
20	B	3205	3106	6.10
21	B	3165	3067	36.20
22	B	3071	2976	95.05
23	B	1562	1513	373.88
24	B	1504	1457	3.01
25	B	1481	1436	52.36
26	B	1443	1399	10.48
27	B	1270	1231	198.17
28	B	1156	1121	21.86
29	B	1142	1107	3.17
30	B	1055	1023	1.20
31	B	761	737	18.45
32	B	729	707	23.07
33	B	477	462	97.71
34	B	313	304	43.46
35	B	142	138	0.78
36	B	124	120	8.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.081
O2	0.000	0.000	1.315
N3	0.000	1.165	-0.677
N4	0.000	-1.165	-0.677
C5	-0.243	2.421	0.031
C6	0.243	-2.421	0.031
H7	-0.446	1.079	-1.584
H8	0.446	-1.079	-1.584
H9	-0.119	3.249	-0.679
H10	0.119	-3.249	-0.679
H11	0.497	2.524	0.833
H12	-0.497	-2.524	0.833
H13	-1.247	2.465	0.481
H14	1.247	-2.465	0.481

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2342	1.3903	1.3903	2.4333	2.4333	2.0336	2.0336	3.3387	3.3387	2.6797	2.6797	2.7914	2.7914
O2	1.2342		2.3081	2.3081	2.7511	2.7511	3.1255	3.1255	3.8139	3.8139	2.6169	2.6169	2.8860	2.8860
N3	1.3903	2.3081		2.3308	1.4613	3.6632	1.0142	2.4615	2.0869	4.4159	2.0909	4.0170	2.1413	4.0096
N4	1.3903	2.3081	2.3308		3.6632	1.4613	2.4615	1.0142	4.4159	2.0869	4.0170	2.0909	4.0096	2.1413
C5	2.4333	2.7511	1.4613	3.6632		4.8655	2.1090	3.9153	1.0975	5.7252	1.0961	5.0154	1.1018	5.1276
C6	2.4333	2.7511	3.6632	1.4613	4.8655		3.9153	2.1090	5.7252	1.0975	5.0154	1.0961	5.1276	1.1018
H7	2.0336	3.1255	1.0142	2.4615	2.1090	3.9153		2.3350	2.3735	4.4576	2.9693	4.3387	2.6128	4.4374
H8	2.0336	3.1255	2.4615	1.0142	3.9153	2.1090	2.3350		4.4576	2.3735	4.3387	2.9693	4.4374	2.6128
H9	3.3387	3.8139	2.0869	4.4159	1.0975	5.7252	2.3735	4.4576		6.5021	1.7865	5.9791	1.7974	5.9885
H10	3.3387	3.8139	4.4159	2.0869	5.7252	1.0975	4.4576	2.3735	6.5021		5.9791	1.7865	5.9885	1.7974
H11	2.6797	2.6169	2.0909	4.0170	1.0961	5.0154	2.9693	4.3387	1.7865	5.9791		5.1442	1.7807	5.0571
H12	2.6797	2.6169	4.0170	2.0909	5.0154	1.0961	4.3387	2.9693	5.9791	1.7865	5.1442		5.0571	1.7807
H13	2.7914	2.8860	2.1413	4.0096	1.1018	5.1276	2.6128	4.4374	1.7974	5.9885	1.7807	5.0571		5.5254
H14	2.7914	2.8860	4.0096	2.1413	5.1276	1.1018	4.4374	2.6128	5.9885	1.7974	5.0571	1.7807	5.5254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.127	C1	N3	H7	114.605
C1	N4	C6	117.127	C1	N4	H8	114.605
O2	C1	N3	123.044	O2	C1	N4	123.044
N3	C1	N4	113.912	N3	C5	H9	108.454
N3	C5	H11	108.853	N3	C5	H13	112.570
N4	C6	H10	108.454	N4	C6	H12	108.853
N4	C6	H14	112.570	C5	N3	H7	115.674
C6	N4	H8	115.674	H9	C5	H11	109.061
H9	C5	H13	109.624	H10	C6	H12	109.061
H10	C6	H14	109.624	H11	C5	H13	108.223
H12	C6	H14	108.223

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

using model chemistry: MP2=FULL/aug-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/aug-cc-pVDZ

States and conformations

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