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	hartrees
Energy at 0K	-302.999621
Energy at 298.15K	-303.009785
HF Energy	-302.037838
Nuclear repulsion energy	247.366300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3575	3429
2	A	3179	3050
3	A	3127	2999
4	A	3046	2922
5	A	1810	1736
6	A	1558	1495
7	A	1532	1470
8	A	1506	1445
9	A	1483	1423
10	A	1218	1168
11	A	1192	1144
12	A	1157	1110
13	A	936	898
14	A	586	562
15	A	460	441
16	A	227	218
17	A	197	189
18	A	105	101
19	B	3573	3427
20	B	3179	3050
21	B	3127	3000
22	B	3045	2921
23	B	1589	1524
24	B	1546	1484
25	B	1527	1465
26	B	1486	1425
27	B	1292	1240
28	B	1175	1127
29	B	1161	1114
30	B	1062	1018
31	B	759	728
32	B	742	712
33	B	511	491
34	B	324	311
35	B	126	121
36	B	116	111

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.089
O2	0.000	0.000	1.319
N3	0.000	1.163	-0.677
N4	0.000	-1.163	-0.677
C5	-0.266	2.418	0.025
C6	0.266	-2.418	0.025
H7	-0.471	1.069	-1.573
H8	0.471	-1.069	-1.573
H9	-0.083	3.248	-0.667
H10	0.083	-3.248	-0.667
H11	0.423	2.495	0.871
H12	-0.423	-2.495	0.871
H13	-1.294	2.483	0.412
H14	1.294	-2.483	0.412

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2300	1.3928	1.3928	2.4335	2.4335	2.0316	2.0316	3.3360	3.3360	2.6486	2.6486	2.8184	2.8184
O2	1.2300		2.3104	2.3104	2.7554	2.7554	3.1192	3.1192	3.8080	3.8080	2.5701	2.5701	2.9434	2.9434
N3	1.3928	2.3104		2.3263	1.4624	3.6591	1.0167	2.4510	2.0867	4.4121	2.0852	3.9946	2.1451	4.0191
N4	1.3928	2.3104	2.3263		3.6591	1.4624	2.4510	1.0167	4.4121	2.0867	3.9946	2.0852	4.0191	2.1451
C5	2.4335	2.7554	1.4624	3.6591		4.8652	2.1014	3.9061	1.0960	5.7189	1.0931	4.9879	1.1005	5.1577
C6	2.4335	2.7554	3.6591	1.4624	4.8652		3.9061	2.1014	5.7189	1.0960	4.9879	1.0931	5.1577	1.1005
H7	2.0316	3.1192	1.0167	2.4510	2.1014	3.9061		2.3367	2.3918	4.4460	2.9671	4.3216	2.5717	4.4352
H8	2.0316	3.1192	2.4510	1.0167	3.9061	2.1014	2.3367		4.4460	2.3918	4.3216	2.9671	4.4352	2.5717
H9	3.3360	3.8080	2.0867	4.4121	1.0960	5.7189	2.3918	4.4460		6.4984	1.7848	5.9552	1.7933	5.9919
H10	3.3360	3.8080	4.4121	2.0867	5.7189	1.0960	4.4460	2.3918	6.4984		5.9552	1.7848	5.9919	1.7933
H11	2.6486	2.5701	2.0852	3.9946	1.0931	4.9879	2.9671	4.3216	1.7848	5.9552		5.0614	1.7775	5.0745
H12	2.6486	2.5701	3.9946	2.0852	4.9879	1.0931	4.3216	2.9671	5.9552	1.7848	5.0614		5.0745	1.7775
H13	2.8184	2.9434	2.1451	4.0191	1.1005	5.1577	2.5717	4.4352	1.7933	5.9919	1.7775	5.0745		5.5999
H14	2.8184	2.9434	4.0191	2.1451	5.1577	1.1005	4.4352	2.5717	5.9919	1.7933	5.0745	1.7775	5.5999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.901	C1	N3	H7	114.042
C1	N4	C6	116.901	C1	N4	H8	114.042
O2	C1	N3	123.374	O2	C1	N4	123.374
N3	C1	N4	113.253	N3	C5	H9	108.450
N3	C5	H11	108.503	N3	C5	H13	112.889
N4	C6	H10	108.450	N4	C6	H12	108.503
N4	C6	H14	112.889	C5	N3	H7	114.723
C6	N4	H8	114.723	H9	C5	H11	109.240
H9	C5	H13	109.457	H10	C6	H12	109.240
H10	C6	H14	109.457	H11	C5	H13	108.247
H12	C6	H14	108.247

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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