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	hartrees
Energy at 0K	-303.118805
Energy at 298.15K	-303.129021
HF Energy	-302.086234
Nuclear repulsion energy	246.932220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3618	3505	21.72
2	A	3161	3062	14.60
3	A	3121	3024	9.71
4	A	3041	2946	5.95
5	A	1760	1705	266.75
6	A	1523	1475	15.69
7	A	1489	1442	0.87
8	A	1478	1431	2.47
9	A	1446	1401	4.67
10	A	1207	1169	0.09
11	A	1179	1142	1.09
12	A	1139	1103	6.81
13	A	925	896	0.33
14	A	556	538	103.13
15	A	442	428	38.09
16	A	223	216	4.75
17	A	196	189	0.28
18	A	126	122	0.83
19	B	3616	3503	8.86
20	B	3161	3062	8.34
21	B	3122	3024	45.38
22	B	3040	2945	97.46
23	B	1573	1523	361.33
24	B	1502	1455	0.32
25	B	1481	1435	39.68
26	B	1450	1405	6.40
27	B	1279	1239	209.35
28	B	1160	1124	16.44
29	B	1146	1110	10.15
30	B	1050	1018	1.66
31	B	772	748	29.60
32	B	734	711	21.01
33	B	488	473	87.39
34	B	316	306	42.21
35	B	145	140	0.88
36	B	124	120	7.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.084
O2	0.000	0.000	1.314
N3	0.000	1.167	-0.677
N4	0.000	-1.167	-0.677
C5	-0.257	2.426	0.030
C6	0.257	-2.426	0.030
H7	-0.459	1.076	-1.577
H8	0.459	-1.076	-1.577
H9	-0.142	3.255	-0.685
H10	0.142	-3.255	-0.685
H11	0.483	2.541	0.834
H12	-0.483	-2.541	0.834
H13	-1.266	2.462	0.479
H14	1.266	-2.462	0.479

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2298	1.3933	1.3933	2.4399	2.4399	2.0314	2.0314	3.3476	3.3476	2.6934	2.6934	2.7964	2.7964
O2	1.2298		2.3077	2.3077	2.7567	2.7567	3.1183	3.1183	3.8225	3.8225	2.6308	2.6308	2.8916	2.8916
N3	1.3933	2.3077		2.3343	1.4661	3.6708	1.0144	2.4599	2.0925	4.4243	2.0989	4.0336	2.1483	4.0136
N4	1.3933	2.3077	2.3343		3.6708	1.4661	2.4599	1.0144	4.4243	2.0925	4.0336	2.0989	4.0136	2.1483
C5	2.4399	2.7567	1.4661	3.6708		4.8787	2.1081	3.9185	1.1010	5.7393	1.0992	5.0369	1.1050	5.1392
C6	2.4399	2.7567	3.6708	1.4661	4.8787		3.9185	2.1081	5.7393	1.1010	5.0369	1.0992	5.1392	1.1050
H7	2.0314	3.1183	1.0144	2.4599	2.1081	3.9185		2.3395	2.3756	4.4620	2.9747	4.3471	2.6072	4.4405
H8	2.0314	3.1183	2.4599	1.0144	3.9185	2.1081	2.3395		4.4620	2.3756	4.3471	2.9747	4.4405	2.6072
H9	3.3476	3.8225	2.0925	4.4243	1.1010	5.7393	2.3756	4.4620		6.5159	1.7916	6.0018	1.8023	6.0017
H10	3.3476	3.8225	4.4243	2.0925	5.7393	1.1010	4.4620	2.3756	6.5159		6.0018	1.7916	6.0017	1.8023
H11	2.6934	2.6308	2.0989	4.0336	1.0992	5.0369	2.9747	4.3471	1.7916	6.0018		5.1736	1.7864	5.0767
H12	2.6934	2.6308	4.0336	2.0989	5.0369	1.0992	4.3471	2.9747	6.0018	1.7916	5.1736		5.0767	1.7864
H13	2.7964	2.8916	2.1483	4.0136	1.1050	5.1392	2.6072	4.4405	1.8023	6.0017	1.7864	5.0767		5.5368
H14	2.7964	2.8916	4.0136	2.1483	5.1392	1.1050	4.4405	2.6072	6.0017	1.8023	5.0767	1.7864	5.5368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.119	C1	N3	H7	114.140
C1	N4	C6	117.119	C1	N4	H8	114.140
O2	C1	N3	123.105	O2	C1	N4	123.105
N3	C1	N4	113.791	N3	C5	H9	108.357
N3	C5	H11	108.972	N3	C5	H13	112.588
N4	C6	H10	108.357	N4	C6	H12	108.972
N4	C6	H14	112.588	C5	N3	H7	115.183
C6	N4	H8	115.183	H9	C5	H11	109.030
H9	C5	H13	109.560	H10	C6	H12	109.030
H10	C6	H14	109.560	H11	C5	H13	108.279
H12	C6	H14	108.279

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

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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