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	hartrees
Energy at 0K	-303.169686
Energy at 298.15K	-303.180092
HF Energy	-302.147284
Nuclear repulsion energy	248.892930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3474	23.86
2	A	3194	3028	14.70
3	A	3152	2988	9.57
4	A	3071	2912	5.33
5	A	1837	1742	299.74
6	A	1558	1477	18.13
7	A	1527	1447	0.60
8	A	1514	1436	7.76
9	A	1497	1419	2.23
10	A	1238	1173	0.01
11	A	1206	1144	0.02
12	A	1176	1115	8.24
13	A	952	903	0.45
14	A	591	561	142.20
15	A	471	446	23.57
16	A	230	218	3.66
17	A	204	194	1.16
18	A	133	126	0.78
19	B	3662	3472	10.96
20	B	3194	3028	8.06
21	B	3152	2988	48.77
22	B	3071	2911	91.70
23	B	1597	1514	356.88
24	B	1542	1462	2.13
25	B	1519	1440	54.18
26	B	1501	1423	6.12
27	B	1300	1233	222.87
28	B	1191	1129	35.21
29	B	1180	1119	4.38
30	B	1066	1011	1.73
31	B	788	747	51.96
32	B	760	721	11.90
33	B	536	508	95.41
34	B	331	314	36.94
35	B	154	146	0.73
36	B	124	117	6.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.093
O2	0.000	0.000	1.306
N3	0.000	1.157	-0.666
N4	0.000	-1.157	-0.666
C5	-0.281	2.409	0.022
C6	0.281	-2.409	0.022
H7	-0.450	1.060	-1.562
H8	0.450	-1.060	-1.562
H9	-0.144	3.229	-0.683
H10	0.144	-3.229	-0.683
H11	0.420	2.529	0.844
H12	-0.420	-2.529	0.844
H13	-1.295	2.446	0.429
H14	1.295	-2.446	0.429

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2125	1.3842	1.3842	2.4267	2.4267	2.0164	2.0164	3.3237	3.3237	2.6715	2.6715	2.7885	2.7885
O2	1.2125		2.2865	2.2865	2.7445	2.7445	3.0902	3.0902	3.7946	3.7946	2.6054	2.6054	2.9036	2.9036
N3	1.3842	2.2865		2.3143	1.4561	3.6430	1.0071	2.4332	2.0766	4.3882	2.0830	4.0057	2.1308	3.9829
N4	1.3842	2.2865	2.3143		3.6430	1.4561	2.4332	1.0071	4.3882	2.0766	4.0057	2.0830	3.9829	2.1308
C5	2.4267	2.7445	1.4561	3.6430		4.8512	2.0874	3.8831	1.0893	5.6976	1.0871	5.0084	1.0935	5.1214
C6	2.4267	2.7445	3.6430	1.4561	4.8512		3.8831	2.0874	5.6976	1.0893	5.0084	1.0871	5.1214	1.0935
H7	2.0164	3.0902	1.0071	2.4332	2.0874	3.8831		2.3033	2.3601	4.4179	2.9500	4.3208	2.5692	4.3939
H8	2.0164	3.0902	2.4332	1.0071	3.8831	2.0874	2.3033		4.4179	2.3601	4.3208	2.9500	4.3939	2.5692
H9	3.3237	3.7946	2.0766	4.3882	1.0893	5.6976	2.3601	4.4179		6.4637	1.7710	5.9632	1.7816	5.9593
H10	3.3237	3.7946	4.3882	2.0766	5.6976	1.0893	4.4179	2.3601	6.4637		5.9632	1.7710	5.9593	1.7816
H11	2.6715	2.6054	2.0830	4.0057	1.0871	5.0084	2.9500	4.3208	1.7710	5.9632		5.1281	1.7670	5.0690
H12	2.6715	2.6054	4.0057	2.0830	5.0084	1.0871	4.3208	2.9500	5.9632	1.7710	5.1281		5.0690	1.7670
H13	2.7885	2.9036	2.1308	3.9829	1.0935	5.1214	2.5692	4.3939	1.7816	5.9593	1.7670	5.0690		5.5363
H14	2.7885	2.9036	3.9829	2.1308	5.1214	1.0935	4.3939	2.5692	5.9593	1.7816	5.0690	1.7670	5.5363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.358	C1	N3	H7	114.037
C1	N4	C6	117.358	C1	N4	H8	114.037
O2	C1	N3	123.282	O2	C1	N4	123.282
N3	C1	N4	113.435	N3	C5	H9	108.476
N3	C5	H11	109.116	N3	C5	H13	112.605
N4	C6	H10	108.476	N4	C6	H12	109.116
N4	C6	H14	112.605	C5	N3	H7	114.634
C6	N4	H8	114.634	H9	C5	H11	108.923
H9	C5	H13	109.414	H10	C6	H12	108.923
H10	C6	H14	109.414	H11	C5	H13	108.249
H12	C6	H14	108.249

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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