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	hartrees
Energy at 0K	-303.081456
Energy at 298.15K	-303.091685
HF Energy	-302.065827
Nuclear repulsion energy	246.999641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3588	3512
2	A	3173	3106
3	A	3122	3056
4	A	3033	2969
5	A	1817	1778
6	A	1516	1483
7	A	1485	1453
8	A	1468	1437
9	A	1440	1409
10	A	1204	1179
11	A	1176	1151
12	A	1133	1109
13	A	925	906
14	A	605	592
15	A	462	452
16	A	224	219
17	A	203	199
18	A	112	109
19	B	3587	3511
20	B	3173	3105
21	B	3122	3056
22	B	3032	2968
23	B	1563	1530
24	B	1499	1467
25	B	1478	1447
26	B	1443	1413
27	B	1273	1246
28	B	1151	1126
29	B	1140	1116
30	B	1058	1035
31	B	774	758
32	B	742	726
33	B	517	506
34	B	321	314
35	B	127	125
36	B	119	117

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.096
O2	0.000	0.000	1.320
N3	0.000	1.165	-0.681
N4	0.000	-1.165	-0.681
C5	-0.311	2.411	0.023
C6	0.311	-2.411	0.023
H7	-0.506	1.049	-1.559
H8	0.506	-1.049	-1.559
H9	-0.152	3.257	-0.669
H10	0.152	-3.257	-0.669
H11	0.375	2.514	0.879
H12	-0.375	-2.514	0.879
H13	-1.349	2.446	0.412
H14	1.349	-2.446	0.412

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2242	1.4003	1.4003	2.4320	2.4320	2.0234	2.0234	3.3490	3.3490	2.6596	2.6596	2.8107	2.8107
O2	1.2242		2.3155	2.3155	2.7556	2.7556	3.1055	3.1055	3.8193	3.8193	2.5799	2.5799	2.9369	2.9369
N3	1.4003	2.3155		2.3298	1.4642	3.6576	1.0197	2.4346	2.0975	4.4244	2.0960	4.0134	2.1573	4.0062
N4	1.4003	2.3155	2.3298		3.6576	1.4642	2.4346	1.0197	4.4244	2.0975	4.0134	2.0960	4.0062	2.1573
C5	2.4320	2.7556	1.4642	3.6576		4.8618	2.0961	3.8907	1.1041	5.7286	1.1018	4.9992	1.1093	5.1470
C6	2.4320	2.7556	3.6576	1.4642	4.8618		3.8907	2.0961	5.7286	1.1041	4.9992	1.1018	5.1470	1.1093
H7	2.0234	3.1055	1.0197	2.4346	2.0961	3.8907		2.3290	2.4067	4.4456	2.9772	4.3187	2.5583	4.4198
H8	2.0234	3.1055	2.4346	1.0197	3.8907	2.0961	2.3290		4.4456	2.4067	4.3187	2.9772	4.4198	2.5583
H9	3.3490	3.8193	2.0975	4.4244	1.1041	5.7286	2.4067	4.4456		6.5208	1.7959	5.9789	1.8052	5.9949
H10	3.3490	3.8193	4.4244	2.0975	5.7286	1.1041	4.4456	2.4067	6.5208		5.9789	1.7959	5.9949	1.8052
H11	2.6596	2.5799	2.0960	4.0134	1.1018	4.9992	2.9772	4.3187	1.7959	5.9789		5.0836	1.7874	5.0757
H12	2.6596	2.5799	4.0134	2.0960	4.9992	1.1018	4.3187	2.9772	5.9789	1.7959	5.0836		5.0757	1.7874
H13	2.8107	2.9369	2.1573	4.0062	1.1093	5.1470	2.5583	4.4198	1.8052	5.9949	1.7874	5.0757		5.5858
H14	2.8107	2.9369	4.0062	2.1573	5.1470	1.1093	4.4198	2.5583	5.9949	1.8052	5.0757	1.7874	5.5858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.191	C1	N3	H7	112.515
C1	N4	C6	116.191	C1	N4	H8	112.515
O2	C1	N3	123.703	O2	C1	N4	123.703
N3	C1	N4	112.594	N3	C5	H9	108.699
N3	C5	H11	108.710	N3	C5	H13	113.190
N4	C6	H10	108.699	N4	C6	H12	108.710
N4	C6	H14	113.190	C5	N3	H7	113.901
C6	N4	H8	113.901	H9	C5	H11	109.005
H9	C5	H13	109.294	H10	C6	H12	109.005
H10	C6	H14	109.294	H11	C5	H13	107.869
H12	C6	H14	107.869

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

using model chemistry: CCSD(T)/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(T)/cc-pVDZ

States and conformations

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