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	hartrees
Energy at 0K	-303.049796
Energy at 298.15K	-303.060063
HF Energy	-302.065936
Nuclear repulsion energy	248.121256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3490	30.70
2	A	3238	3052	13.08
3	A	3195	3010	10.53
4	A	3110	2931	5.94
5	A	1822	1717	323.12
6	A	1573	1482	15.12
7	A	1541	1452	1.05
8	A	1528	1439	9.58
9	A	1502	1415	4.03
10	A	1238	1166	0.18
11	A	1211	1141	0.67
12	A	1173	1106	6.63
13	A	951	896	0.90
14	A	564	531	117.68
15	A	452	426	44.71
16	A	226	213	4.88
17	A	196	184	0.54
18	A	123	116	0.51
19	B	3702	3488	12.05
20	B	3238	3052	7.79
21	B	3195	3011	45.43
22	B	3109	2930	96.58
23	B	1612	1519	415.26
24	B	1561	1471	3.66
25	B	1537	1448	49.51
26	B	1505	1418	8.33
27	B	1313	1237	206.86
28	B	1192	1123	20.68
29	B	1177	1109	9.73
30	B	1071	1010	1.61
31	B	778	733	34.08
32	B	749	705	25.56
33	B	510	481	114.21
34	B	323	304	42.30
35	B	141	133	0.70
36	B	126	119	8.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.087
O2	0.000	0.000	1.312
N3	0.000	1.161	-0.668
N4	0.000	-1.161	-0.668
C5	-0.240	2.423	0.025
C6	0.240	-2.423	0.025
H7	-0.433	1.078	-1.574
H8	0.433	-1.078	-1.574
H9	-0.094	3.234	-0.685
H10	0.094	-3.234	-0.685
H11	0.478	2.524	0.833
H12	-0.478	-2.524	0.833
H13	-1.246	2.483	0.447
H14	1.246	-2.483	0.447

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2255	1.3849	1.3849	2.4353	2.4353	2.0269	2.0269	3.3265	3.3265	2.6750	2.6750	2.8013	2.8013
O2	1.2255		2.2955	2.2955	2.7540	2.7540	3.1115	3.1115	3.8026	3.8026	2.6131	2.6131	2.9097	2.9097
N3	1.3849	2.2955		2.3225	1.4589	3.6580	1.0081	2.4540	2.0753	4.3966	2.0828	4.0077	2.1312	4.0094
N4	1.3849	2.2955	2.3225		3.6580	1.4589	2.4540	1.0081	4.3966	2.0753	4.0077	2.0828	4.0094	2.1312
C5	2.4353	2.7540	1.4589	3.6580		4.8689	2.0982	3.9067	1.0883	5.7111	1.0862	5.0177	1.0923	5.1431
C6	2.4353	2.7540	3.6580	1.4589	4.8689		3.9067	2.0982	5.7111	1.0883	5.0177	1.0862	5.1431	1.0923
H7	2.0269	3.1115	1.0081	2.4540	2.0982	3.9067		2.3229	2.3572	4.4342	2.9525	4.3323	2.5924	4.4252
H8	2.0269	3.1115	2.4540	1.0081	3.9067	2.0982	2.3229		4.4342	2.3572	4.3323	2.9525	4.4252	2.5924
H9	3.3265	3.8026	2.0753	4.3966	1.0883	5.7111	2.3572	4.4342		6.4714	1.7712	5.9674	1.7815	5.9803
H10	3.3265	3.8026	4.3966	2.0753	5.7111	1.0883	4.4342	2.3572	6.4714		5.9674	1.7712	5.9803	1.7815
H11	2.6750	2.6131	2.0828	4.0077	1.0862	5.0177	2.9525	4.3323	1.7712	5.9674		5.1375	1.7673	5.0801
H12	2.6750	2.6131	4.0077	2.0828	5.0177	1.0862	4.3323	2.9525	5.9674	1.7712	5.1375		5.0801	1.7673
H13	2.8013	2.9097	2.1312	4.0094	1.0923	5.1431	2.5924	4.4252	1.7815	5.9803	1.7673	5.0801		5.5560
H14	2.8013	2.9097	4.0094	2.1312	5.1431	1.0923	4.4252	2.5924	5.9803	1.7815	5.0801	1.7673	5.5560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.795	C1	N3	H7	114.865
C1	N4	C6	117.795	C1	N4	H8	114.865
O2	C1	N3	123.018	O2	C1	N4	123.018
N3	C1	N4	113.964	N3	C5	H9	108.244
N3	C5	H11	108.962	N3	C5	H13	112.514
N4	C6	H10	108.244	N4	C6	H12	108.962
N4	C6	H14	112.514	C5	N3	H7	115.323
C6	N4	H8	115.323	H9	C5	H11	109.080
H9	C5	H13	109.562	H10	C6	H12	109.080
H10	C6	H14	109.562	H11	C5	H13	108.427
H12	C6	H14	108.427

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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