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	hartrees
Energy at 0K	-303.163766
Energy at 298.15K	-303.173886
HF Energy	-302.078107
Nuclear repulsion energy	249.054623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3673	3469	33.78
2	A	3237	3058	4.55
3	A	3188	3011	6.03
4	A	3098	2926	2.58
5	A	1819	1718	200.80
6	A	1552	1465	12.04
7	A	1523	1439	0.11
8	A	1486	1404	4.80
9	A	1468	1387	6.24
10	A	1220	1152	0.23
11	A	1194	1128	0.75
12	A	1160	1095	6.54
13	A	937	885	0.97
14	A	558	527	85.80
15	A	441	416	44.25
16	A	227	215	2.89
17	A	195	184	0.03
18	A	97	92	0.38
19	B	3670	3466	13.72
20	B	3237	3057	3.64
21	B	3188	3011	31.82
22	B	3097	2925	81.52
23	B	1580	1492	310.47
24	B	1536	1451	12.76
25	B	1515	1431	101.92
26	B	1469	1388	15.05
27	B	1281	1210	193.64
28	B	1172	1107	27.65
29	B	1156	1091	4.62
30	B	1073	1014	0.69
31	B	778	735	19.26
32	B	744	703	28.57
33	B	501	473	98.54
34	B	323	305	45.31
35	B	125	118	8.62
36	B	103	97	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.089
O2	0.000	0.000	1.309
N3	0.000	1.156	-0.671
N4	0.000	-1.156	-0.671
C5	-0.263	2.403	0.025
C6	0.263	-2.403	0.025
H7	-0.423	1.067	-1.581
H8	0.423	-1.067	-1.581
H9	-0.026	3.235	-0.637
H10	0.026	-3.235	-0.637
H11	0.379	2.450	0.901
H12	-0.379	-2.450	0.901
H13	-1.300	2.494	0.362
H14	1.300	-2.494	0.362

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2196	1.3831	1.3831	2.4182	2.4182	2.0266	2.0266	3.3158	3.3158	2.6083	2.6083	2.8257	2.8257
O2	1.2196		2.2920	2.2920	2.7371	2.7371	3.1094	3.1094	3.7753	3.7753	2.5120	2.5120	2.9677	2.9677
N3	1.3831	2.2920		2.3116	1.4519	3.6356	1.0080	2.4391	2.0799	4.3913	2.0706	3.9512	2.1323	4.0096
N4	1.3831	2.2920	2.3116		3.6356	1.4519	2.4391	1.0080	4.3913	2.0799	3.9512	2.0706	4.0096	2.1323
C5	2.4182	2.7371	1.4519	3.6356		4.8346	2.0950	3.8847	1.0894	5.6843	1.0875	4.9323	1.0940	5.1515
C6	2.4182	2.7371	3.6356	1.4519	4.8346		3.8847	2.0950	5.6843	1.0894	4.9323	1.0875	5.1515	1.0940
H7	2.0266	3.1094	1.0080	2.4391	2.0950	3.8847		2.2959	2.3979	4.4275	2.9523	4.3046	2.5650	4.4075
H8	2.0266	3.1094	2.4391	1.0080	3.8847	2.0950	2.2959		4.4275	2.3979	4.3046	2.9523	4.4075	2.5650
H9	3.3158	3.7753	2.0799	4.3913	1.0894	5.6843	2.3979	4.4275		6.4707	1.7741	5.8997	1.7803	5.9650
H10	3.3158	3.7753	4.3913	2.0799	5.6843	1.0894	4.4275	2.3979	6.4707		5.8997	1.7741	5.9650	1.7803
H11	2.6083	2.5120	2.0706	3.9512	1.0875	4.9323	2.9523	4.3046	1.7741	5.8997		4.9573	1.7641	5.0575
H12	2.6083	2.5120	3.9512	2.0706	4.9323	1.0875	4.3046	2.9523	5.8997	1.7741	4.9573		5.0575	1.7641
H13	2.8257	2.9677	2.1323	4.0096	1.0940	5.1515	2.5650	4.4075	1.7803	5.9650	1.7641	5.0575		5.6251
H14	2.8257	2.9677	4.0096	2.1323	5.1515	1.0940	4.4075	2.5650	5.9650	1.7803	5.0575	1.7641	5.6251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.052	C1	N3	H7	114.991
C1	N4	C6	117.052	C1	N4	H8	114.991
O2	C1	N3	123.313	O2	C1	N4	123.313
N3	C1	N4	113.373	N3	C5	H9	109.018
N3	C5	H11	108.399	N3	C5	H13	113.008
N4	C6	H10	109.018	N4	C6	H12	108.399
N4	C6	H14	113.008	C5	N3	H7	115.599
C6	N4	H8	115.599	H9	C5	H11	109.165
H9	C5	H13	109.250	H10	C6	H12	109.165
H10	C6	H14	109.250	H11	C5	H13	107.934
H12	C6	H14	107.934

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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