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	hartrees
Energy at 0K	-303.182555
Energy at 298.15K	-303.192931
HF Energy	-302.146594
Nuclear repulsion energy	248.476136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3482	19.79
2	A	3183	3041	15.02
3	A	3139	2999	9.97
4	A	3060	2923	5.52
5	A	1800	1719	266.67
6	A	1553	1483	15.73
7	A	1522	1454	0.50
8	A	1507	1439	9.21
9	A	1491	1424	2.97
10	A	1230	1175	0.00
11	A	1198	1144	0.00
12	A	1169	1117	8.95
13	A	942	900	0.12
14	A	594	568	141.44
15	A	469	448	20.30
16	A	229	219	3.50
17	A	202	193	1.21
18	A	131	125	0.81
19	B	3642	3479	9.69
20	B	3183	3041	8.26
21	B	3139	2999	50.56
22	B	3059	2923	96.28
23	B	1585	1514	320.60
24	B	1538	1469	3.41
25	B	1515	1447	57.68
26	B	1495	1428	7.05
27	B	1291	1233	223.90
28	B	1186	1133	40.67
29	B	1175	1123	2.49
30	B	1058	1010	1.93
31	B	780	745	57.38
32	B	753	719	7.96
33	B	533	510	91.34
34	B	329	314	36.30
35	B	152	145	0.81
36	B	123	118	6.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.093
O2	0.000	0.000	1.311
N3	0.000	1.159	-0.668
N4	0.000	-1.159	-0.668
C5	-0.286	2.411	0.022
C6	0.286	-2.411	0.022
H7	-0.456	1.060	-1.562
H8	0.456	-1.060	-1.562
H9	-0.145	3.232	-0.681
H10	0.145	-3.232	-0.681
H11	0.411	2.528	0.848
H12	-0.411	-2.528	0.848
H13	-1.303	2.447	0.424
H14	1.303	-2.447	0.424

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2177	1.3868	1.3868	2.4291	2.4291	2.0180	2.0180	3.3267	3.3267	2.6706	2.6706	2.7918	2.7918
O2	1.2177		2.2935	2.2935	2.7490	2.7490	3.0962	3.0962	3.7993	3.7993	2.6030	2.6030	2.9106	2.9106
N3	1.3868	2.2935		2.3181	1.4580	3.6475	1.0084	2.4356	2.0782	4.3936	2.0842	4.0082	2.1329	3.9866
N4	1.3868	2.2935	2.3181		3.6475	1.4580	2.4356	1.0084	4.3936	2.0782	4.0082	2.0842	3.9866	2.1329
C5	2.4291	2.7490	1.4580	3.6475		4.8560	2.0888	3.8871	1.0900	5.7031	1.0877	5.0097	1.0942	5.1270
C6	2.4291	2.7490	3.6475	1.4580	4.8560		3.8871	2.0888	5.7031	1.0900	5.0097	1.0877	5.1270	1.0942
H7	2.0180	3.0962	1.0084	2.4356	2.0888	3.8871		2.3081	2.3645	4.4229	2.9526	4.3232	2.5661	4.3975
H8	2.0180	3.0962	2.4356	1.0084	3.8871	2.0888	2.3081		4.4229	2.3645	4.3232	2.9526	4.3975	2.5661
H9	3.3267	3.7993	2.0782	4.3936	1.0900	5.7031	2.3645	4.4229		6.4708	1.7728	5.9660	1.7830	5.9638
H10	3.3267	3.7993	4.3936	2.0782	5.7031	1.0900	4.4229	2.3645	6.4708		5.9660	1.7728	5.9638	1.7830
H11	2.6706	2.6030	2.0842	4.0082	1.0877	5.0097	2.9526	4.3232	1.7728	5.9660		5.1232	1.7681	5.0722
H12	2.6706	2.6030	4.0082	2.0842	5.0097	1.0877	4.3232	2.9526	5.9660	1.7728	5.1232		5.0722	1.7681
H13	2.7918	2.9106	2.1329	3.9866	1.0942	5.1270	2.5661	4.3975	1.7830	5.9638	1.7681	5.0722		5.5444
H14	2.7918	2.9106	3.9866	2.1329	5.1270	1.0942	4.3975	2.5661	5.9638	1.7830	5.0722	1.7681	5.5444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.245	C1	N3	H7	113.882
C1	N4	C6	117.245	C1	N4	H8	113.882
O2	C1	N3	123.303	O2	C1	N4	123.303
N3	C1	N4	113.393	N3	C5	H9	108.436
N3	C5	H11	109.048	N3	C5	H13	112.601
N4	C6	H10	108.436	N4	C6	H12	109.048
N4	C6	H14	112.601	C5	N3	H7	114.522
C6	N4	H8	114.522	H9	C5	H11	108.999
H9	C5	H13	109.438	H10	C6	H12	108.999
H10	C6	H14	109.438	H11	C5	H13	108.262
H12	C6	H14	108.262

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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