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	hartrees
Energy at 0K	-303.358267
Energy at 298.15K
HF Energy	-303.148680
Nuclear repulsion energy	245.572060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3665	17.11
2	A	3193	3193	0.93
3	A	3119	3119	0.00
4	A	3060	3060	1.80
5	A	1703	1703	149.17
6	A	1590	1590	41.18
7	A	1569	1569	0.00
8	A	1542	1542	12.04
9	A	1492	1492	59.59
10	A	1209	1209	0.71
11	A	1199	1199	17.34
12	A	1190	1190	0.00
13	A	925	925	6.08
14	A	505	505	1.24
15	A	284	284	0.01
16	A	241	241	1.73
17	A	163	163	0.00
18	A	64	64	0.00
19	B	3657	3657	8.36
20	B	3192	3192	0.36
21	B	3119	3119	98.03
22	B	3059	3059	147.16
23	B	1620	1620	267.66
24	B	1569	1569	17.97
25	B	1557	1557	178.88
26	B	1502	1502	5.10
27	B	1300	1300	292.51
28	B	1196	1196	3.04
29	B	1186	1186	45.43
30	B	1053	1053	1.66
31	B	734	734	39.26
32	B	703	703	4.48
33	B	531	531	327.37
34	B	369	369	30.59
35	B	128	128	15.98
36	B	90	90	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.096
O2	0.000	0.000	1.358
N3	0.000	1.166	-0.649
N4	0.000	-1.166	-0.649
C5	0.003	2.479	-0.007
C6	-0.003	-2.479	-0.007
H7	-0.003	1.122	-1.656
H8	0.003	-1.122	-1.656
H9	0.894	3.055	-0.280
H10	-0.894	-3.055	-0.280
H11	0.008	2.308	1.070
H12	-0.008	-2.308	1.070
H13	-0.890	3.055	-0.272
H14	0.890	-3.055	-0.272

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2617	1.3841	1.3841	2.4808	2.4808	2.0804	2.0804	3.2050	3.2050	2.5052	2.5052	3.2034	3.2034
O2	1.2617		2.3212	2.3212	2.8296	2.8296	3.2157	3.2157	3.5798	3.5798	2.3260	2.3260	3.5754	3.5754
N3	1.3841	2.3212		2.3327	1.4609	3.7011	1.0078	2.4999	2.1214	4.3304	2.0638	3.8766	2.1216	4.3308
N4	1.3841	2.3212	2.3327		3.7011	1.4609	2.4999	1.0078	4.3304	2.1214	3.8766	2.0638	4.3308	2.1216
C5	2.4808	2.8296	1.4609	3.7011		4.9572	2.1354	3.9600	1.0954	5.6122	1.0905	4.9064	1.0954	5.6107
C6	2.4808	2.8296	3.7011	1.4609	4.9572		3.9600	2.1354	5.6122	1.0954	4.9064	1.0905	5.6107	1.0954
H7	2.0804	3.2157	1.0078	2.4999	2.1354	3.9600		2.2436	2.5360	4.4865	2.9730	4.3813	2.5375	4.4898
H8	2.0804	3.2157	2.4999	1.0078	3.9600	2.1354	2.2436		4.4865	2.5360	4.3813	2.9730	4.4898	2.5375
H9	3.2050	3.5798	2.1214	4.3304	1.0954	5.6122	2.5360	4.4865		6.3656	1.7795	5.6033	1.7834	6.1100
H10	3.2050	3.5798	4.3304	2.1214	5.6122	1.0954	4.4865	2.5360	6.3656		5.6033	1.7795	6.1100	1.7834
H11	2.5052	2.3260	2.0638	3.8766	1.0905	4.9064	2.9730	4.3813	1.7795	5.6033		4.6163	1.7793	5.5987
H12	2.5052	2.3260	3.8766	2.0638	4.9064	1.0905	4.3813	2.9730	5.6033	1.7795	4.6163		5.5987	1.7793
H13	3.2034	3.5754	2.1216	4.3308	1.0954	5.6107	2.5375	4.4898	1.7834	6.1100	1.7793	5.5987		6.3643
H14	3.2034	3.5754	4.3308	2.1216	5.6107	1.0954	4.4898	2.5375	6.1100	1.7834	5.5987	1.7793	6.3643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	121.354	C1	N3	H7	120.040
C1	N4	C6	121.354	C1	N4	H8	120.040
O2	C1	N3	122.575	O2	C1	N4	122.575
N3	C1	N4	114.851	N3	C5	H9	111.368
N3	C5	H11	107.077	N3	C5	H13	111.387
N4	C6	H10	111.368	N4	C6	H12	107.077
N4	C6	H14	111.387	C5	N3	H7	118.606
C6	N4	H8	118.606	H9	C5	H11	108.989
H9	C5	H13	108.980	H10	C6	H12	108.989
H10	C6	H14	108.980	H11	C5	H13	108.972
H12	C6	H14	108.972

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G

States and conformations

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