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	hartrees
Energy at 0K	-302.978409
Energy at 298.15K	-302.988666
HF Energy	-302.040405
Nuclear repulsion energy	248.623757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3430	23.99
2	A	3230	3031	10.59
3	A	3182	2986	10.37
4	A	3101	2910	4.50
5	A	1877	1761	256.38
6	A	1581	1483	17.01
7	A	1552	1456	0.21
8	A	1535	1441	5.98
9	A	1507	1414	3.43
10	A	1245	1168	0.11
11	A	1221	1145	1.52
12	A	1180	1107	6.84
13	A	961	902	0.47
14	A	576	541	126.99
15	A	462	433	43.70
16	A	231	216	4.00
17	A	202	189	0.15
18	A	114	107	0.33
19	B	3654	3428	12.82
20	B	3230	3031	7.44
21	B	3182	2986	45.29
22	B	3101	2909	84.62
23	B	1627	1527	429.03
24	B	1568	1471	4.18
25	B	1547	1451	54.92
26	B	1510	1417	6.62
27	B	1323	1241	189.92
28	B	1196	1122	12.98
29	B	1181	1108	18.05
30	B	1087	1020	1.24
31	B	786	737	53.65
32	B	760	713	21.31
33	B	515	484	113.51
34	B	329	309	47.24
35	B	128	120	8.40
36	B	124	117	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.088
O2	0.000	0.000	1.308
N3	0.000	1.157	-0.669
N4	0.000	-1.157	-0.669
C5	-0.241	2.414	0.025
C6	0.241	-2.414	0.025
H7	-0.448	1.072	-1.572
H8	0.448	-1.072	-1.572
H9	-0.070	3.235	-0.674
H10	0.070	-3.235	-0.674
H11	0.464	2.496	0.852
H12	-0.464	-2.496	0.852
H13	-1.256	2.486	0.432
H14	1.256	-2.486	0.432

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2197	1.3830	1.3830	2.4263	2.4263	2.0261	2.0261	3.3238	3.3238	2.6515	2.6515	2.8068	2.8068
O2	1.2197		2.2908	2.2908	2.7435	2.7435	3.1051	3.1051	3.7938	3.7938	2.5794	2.5794	2.9199	2.9199
N3	1.3830	2.2908		2.3145	1.4556	3.6457	1.0113	2.4463	2.0786	4.3924	2.0794	3.9848	2.1348	4.0083
N4	1.3830	2.2908	2.3145		3.6457	1.4556	2.4463	1.0113	4.3924	2.0786	3.9848	2.0794	4.0083	2.1348
C5	2.4263	2.7435	1.4556	3.6457		4.8509	2.0963	3.8954	1.0918	5.6997	1.0893	4.9839	1.0961	5.1394
C6	2.4263	2.7435	3.6457	1.4556	4.8509		3.8954	2.0963	5.6997	1.0918	4.9839	1.0893	5.1394	1.0961
H7	2.0261	3.1051	1.0113	2.4463	2.0963	3.8954		2.3237	2.3723	4.4296	2.9559	4.3138	2.5825	4.4251
H8	2.0261	3.1051	2.4463	1.0113	3.8954	2.0963	2.3237		4.4296	2.3723	4.3138	2.9559	4.4251	2.5825
H9	3.3238	3.7938	2.0786	4.3924	1.0918	5.6997	2.3723	4.4296		6.4708	1.7772	5.9436	1.7860	5.9758
H10	3.3238	3.7938	4.3924	2.0786	5.6997	1.0918	4.4296	2.3723	6.4708		5.9436	1.7772	5.9758	1.7860
H11	2.6515	2.5794	2.0794	3.9848	1.0893	4.9839	2.9559	4.3138	1.7772	5.9436		5.0778	1.7701	5.0627
H12	2.6515	2.5794	3.9848	2.0794	4.9839	1.0893	4.3138	2.9559	5.9436	1.7772	5.0778		5.0627	1.7701
H13	2.8068	2.9199	2.1348	4.0083	1.0961	5.1394	2.5825	4.4251	1.7860	5.9758	1.7701	5.0627		5.5711
H14	2.8068	2.9199	4.0083	2.1348	5.1394	1.0961	4.4251	2.5825	5.9758	1.7860	5.0627	1.7701	5.5711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.434	C1	N3	H7	114.713
C1	N4	C6	117.434	C1	N4	H8	114.713
O2	C1	N3	123.203	O2	C1	N4	123.203
N3	C1	N4	113.594	N3	C5	H9	108.516
N3	C5	H11	108.729	N3	C5	H13	112.804
N4	C6	H10	108.516	N4	C6	H12	108.729
N4	C6	H14	112.804	C5	N3	H7	115.188
C6	N4	H8	115.188	H9	C5	H11	109.133
H9	C5	H13	109.423	H10	C6	H12	109.133
H10	C6	H14	109.423	H11	C5	H13	108.180
H12	C6	H14	108.180

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

using model chemistry: MP3=FULL/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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All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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