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	hartrees
Energy at 0K	-304.000737
Energy at 298.15K	-304.010642
HF Energy	-304.000737
Nuclear repulsion energy	247.783782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3591	3460	13.10
2	A	3148	3034	8.55
3	A	3090	2977	8.49
4	A	3012	2903	2.78
5	A	1750	1687	262.85
6	A	1540	1484	19.70
7	A	1507	1452	0.75
8	A	1481	1428	9.44
9	A	1451	1398	14.78
10	A	1191	1147	0.45
11	A	1169	1126	1.35
12	A	1143	1102	7.53
13	A	916	883	2.57
14	A	517	498	39.87
15	A	406	391	49.59
16	A	219	211	3.37
17	A	175	169	0.06
18	A	80	77	0.31
19	B	3586	3456	7.11
20	B	3148	3033	2.88
21	B	3090	2978	63.15
22	B	3011	2902	138.84
23	B	1562	1506	261.73
24	B	1520	1465	21.73
25	B	1497	1443	114.81
26	B	1455	1402	11.38
27	B	1249	1204	261.13
28	B	1154	1112	36.51
29	B	1140	1098	7.30
30	B	1032	994	1.98
31	B	752	724	5.96
32	B	720	694	27.59
33	B	491	473	127.98
34	B	320	308	43.00
35	B	120	116	11.22
36	B	85	82	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.099
O2	0.000	0.000	1.323
N3	0.000	1.160	-0.654
N4	0.000	-1.160	-0.654
C5	-0.235	2.436	0.008
C6	0.235	-2.436	0.008
H7	-0.335	1.083	-1.604
H8	0.335	-1.083	-1.604
H9	0.161	3.240	-0.615
H10	-0.161	-3.240	-0.615
H11	0.292	2.426	0.960
H12	-0.292	-2.426	0.960
H13	-1.298	2.619	0.204
H14	1.298	-2.619	0.204

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2242	1.3836	1.3836	2.4489	2.4489	2.0461	2.0461	3.3214	3.3214	2.5904	2.5904	2.9252	2.9252
O2	1.2242		2.2930	2.2930	2.7783	2.7783	3.1393	3.1393	3.7788	3.7788	2.4700	2.4700	3.1300	3.1300
N3	1.3836	2.2930		2.3209	1.4562	3.6643	1.0101	2.4593	2.0858	4.4033	2.0718	3.9436	2.1331	4.0877
N4	1.3836	2.2930	2.3209		3.6643	1.4562	2.4593	1.0101	4.4033	2.0858	3.9436	2.0718	4.0877	2.1331
C5	2.4489	2.7783	1.4562	3.6643		4.8943	2.1067	3.9125	1.0912	5.7101	1.0882	4.9542	1.0962	5.2862
C6	2.4489	2.7783	3.6643	1.4562	4.8943		3.9125	2.1067	5.7101	1.0912	4.9542	1.0882	5.2862	1.0962
H7	2.0461	3.1393	1.0101	2.4593	2.1067	3.9125		2.2676	2.4236	4.4380	2.9614	4.3462	2.5610	4.4324
H8	2.0461	3.1393	2.4593	1.0101	3.9125	2.1067	2.2676		4.4380	2.4236	4.3462	2.9614	4.4324	2.5610
H9	3.3214	3.7788	2.0858	4.4033	1.0912	5.7101	2.4236	4.4380		6.4874	1.7780	5.8976	1.7842	6.0245
H10	3.3214	3.7788	4.4033	2.0858	5.7101	1.0912	4.4380	2.4236	6.4874		5.8976	1.7780	6.0245	1.7842
H11	2.5904	2.4700	2.0718	3.9436	1.0882	4.9542	2.9614	4.3462	1.7780	5.8976		4.8862	1.7705	5.1996
H12	2.5904	2.4700	3.9436	2.0718	4.9542	1.0882	4.3462	2.9614	5.8976	1.7780	4.8862		5.1996	1.7705
H13	2.9252	3.1300	2.1331	4.0877	1.0962	5.2862	2.5610	4.4324	1.7842	6.0245	1.7705	5.1996		5.8465
H14	2.9252	3.1300	4.0877	2.1331	5.2862	1.0962	4.4324	2.5610	6.0245	1.7842	5.1996	1.7705	5.8465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.143	C1	N3	H7	116.610
C1	N4	C6	119.143	C1	N4	H8	116.610
O2	C1	N3	122.993	O2	C1	N4	122.993
N3	C1	N4	114.015	N3	C5	H9	109.090
N3	C5	H11	108.156	N3	C5	H13	112.625
N4	C6	H10	109.090	N4	C6	H12	108.156
N4	C6	H14	112.625	C5	N3	H7	116.176
C6	N4	H8	116.176	H9	C5	H11	109.333
H9	C5	H13	109.300	H10	C6	H12	109.333
H10	C6	H14	109.300	H11	C5	H13	108.286
H12	C6	H14	108.286

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

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	0.294
2	O	-0.415
3	N	-0.297
4	N	-0.297
5	C	-0.232
6	C	-0.232
7	H	0.216
8	H	0.216
9	H	0.112
10	H	0.112
11	H	0.150
12	H	0.150
13	H	0.112
14	H	0.112

	x	y	z
x	6.226	-0.526	0.000
y	-0.526	10.510	0.000
z	0.000	0.000	8.043

<r²>	193.229
(<r²>)^1/2	13.901

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

using model chemistry: TPSSh/TZVP

States and conformations

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