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	hartrees
Energy at 0K	-303.240642
Energy at 298.15K	-303.250998
HF Energy	-302.146588
Nuclear repulsion energy	248.773015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3473	27.60
2	A	3217	3065	10.58
3	A	3173	3023	7.59
4	A	3082	2936	4.49
5	A	1790	1705	251.33
6	A	1550	1477	13.17
7	A	1520	1448	0.14
8	A	1494	1424	11.40
9	A	1485	1415	2.66
10	A	1226	1168	0.07
11	A	1199	1142	0.00
12	A	1167	1112	8.33
13	A	940	896	0.69
14	A	593	565	135.65
15	A	467	445	23.01
16	A	229	218	3.49
17	A	201	191	1.02
18	A	130	123	0.72
19	B	3642	3470	12.44
20	B	3217	3065	6.15
21	B	3173	3023	40.51
22	B	3081	2936	92.03
23	B	1575	1500	307.63
24	B	1535	1463	11.97
25	B	1512	1440	81.22
26	B	1489	1418	11.75
27	B	1281	1221	216.63
28	B	1183	1127	42.64
29	B	1168	1113	0.38
30	B	1062	1012	1.43
31	B	769	733	49.86
32	B	751	715	8.33
33	B	533	508	102.15
34	B	328	312	35.88
35	B	149	142	0.76
36	B	124	118	6.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.091
O2	0.000	0.000	1.313
N3	0.000	1.158	-0.669
N4	0.000	-1.158	-0.669
C5	-0.280	2.406	0.022
C6	0.280	-2.406	0.022
H7	-0.447	1.061	-1.568
H8	0.447	-1.061	-1.568
H9	-0.126	3.228	-0.673
H10	0.126	-3.228	-0.673
H11	0.411	2.511	0.852
H12	-0.411	-2.511	0.852
H13	-1.297	2.448	0.417
H14	1.297	-2.448	0.417

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2214	1.3848	1.3848	2.4232	2.4232	2.0196	2.0196	3.3198	3.3198	2.6561	2.6561	2.7897	2.7897
O2	1.2214		2.2949	2.2949	2.7448	2.7448	3.1021	3.1021	3.7921	3.7921	2.5862	2.5862	2.9118	2.9118
N3	1.3848	2.2949		2.3151	1.4539	3.6406	1.0087	2.4354	2.0744	4.3875	2.0773	3.9930	2.1276	3.9828
N4	1.3848	2.2949	2.3151		3.6406	1.4539	2.4354	1.0087	4.3875	2.0744	3.9930	2.0773	3.9828	2.1276
C5	2.4232	2.7448	1.4539	3.6406		4.8445	2.0887	3.8829	1.0873	5.6913	1.0854	4.9888	1.0917	5.1193
C6	2.4232	2.7448	3.6406	1.4539	4.8445		3.8829	2.0887	5.6913	1.0873	4.9888	1.0854	5.1193	1.0917
H7	2.0196	3.1021	1.0087	2.4354	2.0887	3.8829		2.3034	2.3662	4.4190	2.9488	4.3152	2.5660	4.3930
H8	2.0196	3.1021	2.4354	1.0087	3.8829	2.0887	2.3034		4.4190	2.3662	4.3152	2.9488	4.3930	2.5660
H9	3.3198	3.7921	2.0744	4.3875	1.0873	5.6913	2.3662	4.4190		6.4611	1.7687	5.9456	1.7794	5.9527
H10	3.3198	3.7921	4.3875	2.0744	5.6913	1.0873	4.4190	2.3662	6.4611		5.9456	1.7687	5.9527	1.7794
H11	2.6561	2.5862	2.0773	3.9930	1.0854	4.9888	2.9488	4.3152	1.7687	5.9456		5.0897	1.7633	5.0571
H12	2.6561	2.5862	3.9930	2.0773	4.9888	1.0854	4.3152	2.9488	5.9456	1.7687	5.0897		5.0571	1.7633
H13	2.7897	2.9118	2.1276	3.9828	1.0917	5.1193	2.5660	4.3930	1.7794	5.9527	1.7633	5.0571		5.5412
H14	2.7897	2.9118	3.9828	2.1276	5.1193	1.0917	4.3930	2.5660	5.9527	1.7794	5.0571	1.7633	5.5412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.199	C1	N3	H7	114.159
C1	N4	C6	117.199	C1	N4	H8	114.159
O2	C1	N3	123.292	O2	C1	N4	123.292
N3	C1	N4	113.416	N3	C5	H9	108.576
N3	C5	H11	108.919	N3	C5	H13	112.624
N4	C6	H10	108.576	N4	C6	H12	108.919
N4	C6	H14	112.624	C5	N3	H7	114.820
C6	N4	H8	114.820	H9	C5	H11	108.993
H9	C5	H13	109.494	H10	C6	H12	108.993
H10	C6	H14	109.494	H11	C5	H13	108.176
H12	C6	H14	108.176

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

using model chemistry: MP2=FULL/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: MP2=FULL/TZVP

States and conformations

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