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	hartrees
Energy at 0K	-303.190346
Energy at 298.15K	-303.200682
HF Energy	-302.108950
Nuclear repulsion energy	249.030701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3689	3689	18.19
2	A	3203	3203	13.08
3	A	3157	3157	10.22
4	A	3074	3074	5.40
5	A	1875	1875	279.58
6	A	1573	1573	24.66
7	A	1537	1537	0.04
8	A	1527	1527	1.24
9	A	1496	1496	4.88
10	A	1240	1240	0.02
11	A	1213	1213	1.41
12	A	1172	1172	8.07
13	A	957	957	0.44
14	A	589	589	149.84
15	A	468	468	34.25
16	A	232	232	3.84
17	A	204	204	0.18
18	A	120	120	0.38
19	B	3687	3687	10.78
20	B	3203	3203	8.08
21	B	3157	3157	50.53
22	B	3073	3073	94.75
23	B	1623	1623	417.19
24	B	1548	1548	1.77
25	B	1528	1528	49.90
26	B	1500	1500	4.61
27	B	1311	1311	212.73
28	B	1188	1188	10.03
29	B	1176	1176	19.64
30	B	1082	1082	0.96
31	B	803	803	48.68
32	B	762	762	20.40
33	B	526	526	108.23
34	B	331	331	44.75
35	B	132	132	2.24
36	B	127	127	5.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.092
O2	0.000	0.000	1.301
N3	0.000	1.156	-0.670
N4	0.000	-1.156	-0.670
C5	-0.243	2.411	0.025
C6	0.243	-2.411	0.025
H7	-0.458	1.067	-1.561
H8	0.458	-1.067	-1.561
H9	-0.064	3.235	-0.667
H10	0.064	-3.235	-0.667
H11	0.454	2.494	0.858
H12	-0.454	-2.494	0.858
H13	-1.260	2.485	0.426
H14	1.260	-2.485	0.426

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2091	1.3846	1.3846	2.4245	2.4245	2.0199	2.0199	3.3237	3.3237	2.6477	2.6477	2.8060	2.8060
O2	1.2091		2.2851	2.2851	2.7389	2.7389	3.0886	3.0886	3.7876	3.7876	2.5732	2.5732	2.9203	2.9203
N3	1.3846	2.2851		2.3122	1.4553	3.6427	1.0060	2.4381	2.0800	4.3917	2.0804	3.9825	2.1339	4.0056
N4	1.3846	2.2851	2.3122		3.6427	1.4553	2.4381	1.0060	4.3917	2.0800	3.9825	2.0804	4.0056	2.1339
C5	2.4245	2.7389	1.4553	3.6427		4.8471	2.0906	3.8864	1.0910	5.6971	1.0884	4.9797	1.0954	5.1374
C6	2.4245	2.7389	3.6427	1.4553	4.8471		3.8864	2.0906	5.6971	1.0910	4.9797	1.0884	5.1374	1.0954
H7	2.0199	3.0886	1.0060	2.4381	2.0906	3.8864		2.3219	2.3783	4.4245	2.9525	4.3040	2.5693	4.4174
H8	2.0199	3.0886	2.4381	1.0060	3.8864	2.0906	2.3219		4.4245	2.3783	4.3040	2.9525	4.4174	2.5693
H9	3.3237	3.7876	2.0800	4.3917	1.0910	5.6971	2.3783	4.4245		6.4715	1.7730	5.9411	1.7853	5.9723
H10	3.3237	3.7876	4.3917	2.0800	5.6971	1.0910	4.4245	2.3783	6.4715		5.9411	1.7730	5.9723	1.7853
H11	2.6477	2.5732	2.0804	3.9825	1.0884	4.9797	2.9525	4.3040	1.7730	5.9411		5.0693	1.7668	5.0620
H12	2.6477	2.5732	3.9825	2.0804	4.9797	1.0884	4.3040	2.9525	5.9411	1.7730	5.0693		5.0620	1.7668
H13	2.8060	2.9203	2.1339	4.0056	1.0954	5.1374	2.5693	4.4174	1.7853	5.9723	1.7668	5.0620		5.5720
H14	2.8060	2.9203	4.0056	2.1339	5.1374	1.0954	4.4174	2.5693	5.9723	1.7853	5.0620	1.7668	5.5720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.218	C1	N3	H7	114.399
C1	N4	C6	117.218	C1	N4	H8	114.399
O2	C1	N3	123.388	O2	C1	N4	123.388
N3	C1	N4	113.224	N3	C5	H9	108.707
N3	C5	H11	108.891	N3	C5	H13	112.804
N4	C6	H10	108.707	N4	C6	H12	108.891
N4	C6	H14	112.804	C5	N3	H7	115.071
C6	N4	H8	115.071	H9	C5	H11	108.888
H9	C5	H13	109.477	H10	C6	H12	108.888
H10	C6	H14	109.477	H11	C5	H13	108.006
H12	C6	H14	108.006

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-311G*

States and conformations

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