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	hartrees
Energy at 0K	-301.021271
Energy at 298.15K	-301.031109
HF Energy	-300.357161
Nuclear repulsion energy	244.411397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3559	3452
2	A	3132	3037
3	A	3062	2970
4	A	3013	2922
5	A	1683	1632
6	A	1598	1550
7	A	1587	1539
8	A	1514	1468
9	A	1472	1427
10	A	1194	1158
11	A	1175	1140
12	A	1146	1111
13	A	894	867
14	A	499	484
15	A	245	238
16	A	241	234
17	A	168	163
18	A	96	93
19	B	3553	3446
20	B	3131	3037
21	B	3063	2970
22	B	3011	2920
23	B	1604	1555
24	B	1588	1540
25	B	1535	1488
26	B	1486	1441
27	B	1229	1192
28	B	1181	1145
29	B	1173	1137
30	B	1013	982
31	B	733	711
32	B	703	682
33	B	460	446
34	B	369	358
35	B	148	144
36	B	103	100

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.092
O2	0.000	0.000	1.354
N3	0.000	1.170	-0.673
N4	0.000	-1.170	-0.673
C5	-0.065	2.479	0.013
C6	0.065	-2.479	0.013
H7	-0.177	1.127	-1.672
H8	0.177	-1.127	-1.672
H9	0.756	3.137	-0.308
H10	-0.756	-3.137	-0.308
H11	0.033	2.260	1.082
H12	-0.033	-2.260	1.082
H13	-1.026	2.988	-0.163
H14	1.026	-2.988	-0.163

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2624	1.3978	1.3978	2.4816	2.4816	2.1003	2.1003	3.2517	3.2517	2.4673	2.4673	3.1691	3.1691
O2	1.2624		2.3407	2.3407	2.8198	2.8198	3.2338	3.2338	3.6299	3.6299	2.2762	2.2762	3.5044	3.5044
N3	1.3978	2.3407		2.3399	1.4797	3.7139	1.0151	2.5108	2.1389	4.3883	2.0662	3.8527	2.1486	4.3125
N4	1.3978	2.3407	2.3399		3.7139	1.4797	2.5108	1.0151	4.3883	2.1389	3.8527	2.0662	4.3125	2.1486
C5	2.4816	2.8198	1.4797	3.7139		4.9606	2.1633	3.9877	1.0996	5.6681	1.0960	4.8583	1.1013	5.5776
C6	2.4816	2.8198	3.7139	1.4797	4.9606		3.9877	2.1633	5.6681	1.0996	4.8583	1.0960	5.5776	1.1013
H7	2.1003	3.2338	1.0151	2.5108	2.1633	3.9877		2.2814	2.6024	4.5141	2.9851	4.3672	2.5414	4.5445
H8	2.1003	3.2338	2.5108	1.0151	3.9877	2.1633	2.2814		4.5141	2.6024	4.3672	2.9851	4.5445	2.5414
H9	3.2517	3.6299	2.1389	4.3883	1.0996	5.6681	2.6024	4.5141		6.4541	1.7957	5.6286	1.7939	6.1325
H10	3.2517	3.6299	4.3883	2.1389	5.6681	1.0996	4.5141	2.6024	6.4541		5.6286	1.7957	6.1325	1.7939
H11	2.4673	2.2762	2.0662	3.8527	1.0960	4.8583	2.9851	4.3672	1.7957	5.6286		4.5197	1.7896	5.4836
H12	2.4673	2.2762	3.8527	2.0662	4.8583	1.0960	4.3672	2.9851	5.6286	1.7957	4.5197		5.4836	1.7896
H13	3.1691	3.5044	2.1486	4.3125	1.1013	5.5776	2.5414	4.5445	1.7939	6.1325	1.7896	5.4836		6.3177
H14	3.1691	3.5044	4.3125	2.1486	5.5776	1.1013	4.5445	2.5414	6.1325	1.7939	5.4836	1.7896	6.3177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.145	C1	N3	H7	120.182
C1	N4	C6	119.145	C1	N4	H8	120.182
O2	C1	N3	123.176	O2	C1	N4	123.176
N3	C1	N4	113.647	N3	C5	H9	111.189
N3	C5	H11	105.713	N3	C5	H13	111.873
N4	C6	H10	111.189	N4	C6	H12	105.713
N4	C6	H14	111.873	C5	N3	H7	119.076
C6	N4	H8	119.076	H9	C5	H11	109.741
H9	C5	H13	109.186	H10	C6	H12	109.741
H10	C6	H14	109.186	H11	C5	H13	109.062
H12	C6	H14	109.062

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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