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	hartrees
Energy at 0K	-303.157578
Energy at 298.15K	-303.167652
HF Energy	-302.084186
Nuclear repulsion energy	246.176963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3576	3494
2	A	3189	3116
3	A	3137	3065
4	A	3053	2982
5	A	1788	1747
6	A	1560	1524
7	A	1534	1499
8	A	1504	1470
9	A	1483	1449
10	A	1217	1189
11	A	1190	1162
12	A	1156	1129
13	A	930	908
14	A	588	574
15	A	460	449
16	A	227	222
17	A	198	193
18	A	106	103
19	B	3574	3492
20	B	3189	3116
21	B	3137	3065
22	B	3052	2982
23	B	1585	1548
24	B	1548	1512
25	B	1529	1494
26	B	1486	1452
27	B	1287	1257
28	B	1174	1147
29	B	1161	1134
30	B	1062	1038
31	B	755	738
32	B	738	721
33	B	511	499
34	B	324	316
35	B	126	123
36	B	115	112

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.083
O2	0.000	0.000	1.322
N3	0.000	1.171	-0.683
N4	0.000	-1.171	-0.683
C5	-0.270	2.427	0.031
C6	0.270	-2.427	0.031
H7	-0.467	1.077	-1.582
H8	0.467	-1.077	-1.582
H9	-0.154	3.262	-0.679
H10	0.154	-3.262	-0.679
H11	0.465	2.539	0.843
H12	-0.465	-2.539	0.843
H13	-1.284	2.454	0.475
H14	1.284	-2.454	0.475

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2391	1.3990	1.3990	2.4427	2.4427	2.0370	2.0370	3.3531	3.3531	2.6903	2.6903	2.7971	2.7971
O2	1.2391		2.3215	2.3215	2.7622	2.7622	3.1321	3.1321	3.8297	3.8297	2.6248	2.6248	2.8962	2.8962
N3	1.3990	2.3215		2.3422	1.4699	3.6784	1.0175	2.4662	2.0964	4.4357	2.1007	4.0379	2.1525	4.0161
N4	1.3990	2.3215	2.3422		3.6784	1.4699	2.4662	1.0175	4.4357	2.0964	4.0379	2.1007	4.0161	2.1525
C5	2.4427	2.7622	1.4699	3.6784		4.8844	2.1126	3.9278	1.1022	5.7489	1.1005	5.0353	1.1065	5.1418
C6	2.4427	2.7622	3.6784	1.4699	4.8844		3.9278	2.1126	5.7489	1.1022	5.0353	1.1005	5.1418	1.1065
H7	2.0370	3.1321	1.0175	2.4662	2.1126	3.9278		2.3485	2.3844	4.4754	2.9803	4.3535	2.6060	4.4458
H8	2.0370	3.1321	2.4662	1.0175	3.9278	2.1126	2.3485		4.4754	2.3844	4.3535	2.9803	4.4458	2.6060
H9	3.3531	3.8297	2.0964	4.4357	1.1022	5.7489	2.3844	4.4754		6.5310	1.7948	6.0047	1.8055	6.0058
H10	3.3531	3.8297	4.4357	2.0964	5.7489	1.1022	4.4754	2.3844	6.5310		6.0047	1.7948	6.0058	1.8055
H11	2.6903	2.6248	2.1007	4.0379	1.1005	5.0353	2.9803	4.3535	1.7948	6.0047		5.1615	1.7889	5.0727
H12	2.6903	2.6248	4.0379	2.1007	5.0353	1.1005	4.3535	2.9803	6.0047	1.7948	5.1615		5.0727	1.7889
H13	2.7971	2.8962	2.1525	4.0161	1.1065	5.1418	2.6060	4.4458	1.8055	6.0058	1.7889	5.0727		5.5391
H14	2.7971	2.8962	4.0161	2.1525	5.1418	1.1065	4.4458	2.6060	6.0058	1.8055	5.0727	1.7889	5.5391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.716	C1	N3	H7	113.972
C1	N4	C6	116.716	C1	N4	H8	113.972
O2	C1	N3	123.167	O2	C1	N4	123.167
N3	C1	N4	113.667	N3	C5	H9	108.342
N3	C5	H11	108.772	N3	C5	H13	112.566
N4	C6	H10	108.342	N4	C6	H12	108.772
N4	C6	H14	112.566	C5	N3	H7	115.062
C6	N4	H8	115.062	H9	C5	H11	109.142
H9	C5	H13	109.666	H10	C6	H12	109.142
H10	C6	H14	109.666	H11	C5	H13	108.300
H12	C6	H14	108.300

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

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

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