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	hartrees
Energy at 0K	-303.115842
Energy at 298.15K	-303.126069
HF Energy	-302.086518
Nuclear repulsion energy	247.055281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3623	3490	23.58
2	A	3163	3047	14.75
3	A	3123	3009	9.77
4	A	3043	2932	6.02
5	A	1775	1710	279.41
6	A	1524	1468	16.22
7	A	1490	1435	0.88
8	A	1479	1425	2.17
9	A	1448	1395	4.29
10	A	1209	1165	0.08
11	A	1182	1139	1.12
12	A	1140	1098	6.49
13	A	928	894	0.43
14	A	555	535	103.39
15	A	442	426	39.81
16	A	223	214	4.82
17	A	197	189	0.29
18	A	127	122	0.82
19	B	3621	3488	9.45
20	B	3163	3047	8.39
21	B	3124	3009	44.98
22	B	3043	2931	95.73
23	B	1576	1519	373.57
24	B	1503	1448	0.22
25	B	1481	1427	38.68
26	B	1452	1399	6.31
27	B	1283	1236	207.96
28	B	1162	1119	15.11
29	B	1147	1105	10.66
30	B	1052	1014	1.70
31	B	776	748	29.00
32	B	737	710	21.58
33	B	489	471	88.23
34	B	316	305	42.71
35	B	146	141	0.83
36	B	124	120	7.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.084
O2	0.000	0.000	1.312
N3	0.000	1.167	-0.676
N4	0.000	-1.167	-0.676
C5	-0.256	2.425	0.030
C6	0.256	-2.425	0.030
H7	-0.458	1.076	-1.576
H8	0.458	-1.076	-1.576
H9	-0.148	3.254	-0.686
H10	0.148	-3.254	-0.686
H11	0.488	2.544	0.830
H12	-0.488	-2.544	0.830
H13	-1.262	2.459	0.485
H14	1.262	-2.459	0.485

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2277	1.3926	1.3926	2.4393	2.4393	2.0308	2.0308	3.3470	3.3470	2.6962	2.6962	2.7933	2.7933
O2	1.2277		2.3051	2.3051	2.7548	2.7548	3.1158	3.1158	3.8212	3.8212	2.6352	2.6352	2.8852	2.8852
N3	1.3926	2.3051		2.3337	1.4658	3.6699	1.0141	2.4597	2.0922	4.4231	2.0990	4.0351	2.1479	4.0114
N4	1.3926	2.3051	2.3337		3.6699	1.4658	2.4597	1.0141	4.4231	2.0922	4.0351	2.0990	4.0114	2.1479
C5	2.4393	2.7548	1.4658	3.6699		4.8775	2.1079	3.9180	1.1009	5.7383	1.0990	5.0390	1.1049	5.1353
C6	2.4393	2.7548	3.6699	1.4658	4.8775		3.9180	2.1079	5.7383	1.1009	5.0390	1.0990	5.1353	1.1049
H7	2.0308	3.1158	1.0141	2.4597	2.1079	3.9180		2.3390	2.3730	4.4616	2.9739	4.3475	2.6098	4.4395
H8	2.0308	3.1158	2.4597	1.0141	3.9180	2.1079	2.3390		4.4616	2.3730	4.3475	2.9739	4.4395	2.6098
H9	3.3470	3.8212	2.0922	4.4231	1.1009	5.7383	2.3730	4.4616		6.5143	1.7911	6.0030	1.8019	6.0000
H10	3.3470	3.8212	4.4231	2.0922	5.7383	1.1009	4.4616	2.3730	6.5143		6.0030	1.7911	6.0000	1.8019
H11	2.6962	2.6352	2.0990	4.0351	1.0990	5.0390	2.9739	4.3475	1.7911	6.0030		5.1817	1.7861	5.0750
H12	2.6962	2.6352	4.0351	2.0990	5.0390	1.0990	4.3475	2.9739	6.0030	1.7911	5.1817		5.0750	1.7861
H13	2.7933	2.8852	2.1479	4.0114	1.1049	5.1353	2.6098	4.4395	1.8019	6.0000	1.7861	5.0750		5.5286
H14	2.7933	2.8852	4.0114	2.1479	5.1353	1.1049	4.4395	2.6098	6.0000	1.8019	5.0750	1.7861	5.5286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.137	C1	N3	H7	114.171
C1	N4	C6	117.137	C1	N4	H8	114.171
O2	C1	N3	123.086	O2	C1	N4	123.086
N3	C1	N4	113.828	N3	C5	H9	108.362
N3	C5	H11	109.009	N3	C5	H13	112.588
N4	C6	H10	108.362	N4	C6	H12	109.009
N4	C6	H14	112.588	C5	N3	H7	115.205
C6	N4	H8	115.205	H9	C5	H11	109.004
H9	C5	H13	109.547	H10	C6	H12	109.004
H10	C6	H14	109.547	H11	C5	H13	108.276
H12	C6	H14	108.276

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

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

States and conformations

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