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	hartrees
Energy at 0K	-303.023487
Energy at 298.15K	-303.033648
HF Energy	-302.038216
Nuclear repulsion energy	247.587690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3577	3577
2	A	3180	3180
3	A	3127	3127
4	A	3047	3047
5	A	1815	1815
6	A	1560	1560
7	A	1533	1533
8	A	1508	1508
9	A	1485	1485
10	A	1220	1220
11	A	1195	1195
12	A	1160	1160
13	A	937	937
14	A	583	583
15	A	460	460
16	A	227	227
17	A	197	197
18	A	104	104
19	B	3575	3575
20	B	3180	3180
21	B	3128	3128
22	B	3046	3046
23	B	1592	1592
24	B	1548	1548
25	B	1528	1528
26	B	1487	1487
27	B	1294	1294
28	B	1176	1176
29	B	1163	1163
30	B	1064	1064
31	B	762	762
32	B	745	745
33	B	511	511
34	B	325	325
35	B	126	126
36	B	115	115

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.090
O2	0.000	0.000	1.319
N3	0.000	1.162	-0.676
N4	0.000	-1.162	-0.676
C5	-0.262	2.416	0.024
C6	0.262	-2.416	0.024
H7	-0.468	1.068	-1.573
H8	0.468	-1.068	-1.573
H9	-0.075	3.246	-0.667
H10	0.075	-3.246	-0.667
H11	0.425	2.492	0.871
H12	-0.425	-2.492	0.871
H13	-1.290	2.485	0.410
H14	1.290	-2.485	0.410

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2289	1.3911	1.3911	2.4315	2.4315	2.0310	2.0310	3.3335	3.3335	2.6459	2.6459	2.8185	2.8185
O2	1.2289		2.3078	2.3078	2.7537	2.7537	3.1179	3.1179	3.8056	3.8056	2.5673	2.5673	2.9441	2.9441
N3	1.3911	2.3078		2.3233	1.4605	3.6553	1.0164	2.4491	2.0853	4.4079	2.0836	3.9901	2.1435	4.0179
N4	1.3911	2.3078	2.3233		3.6553	1.4605	2.4491	1.0164	4.4079	2.0853	3.9901	2.0836	4.0179	2.1435
C5	2.4315	2.7537	1.4605	3.6553		4.8612	2.1001	3.9024	1.0957	5.7141	1.0928	4.9836	1.1002	5.1562
C6	2.4315	2.7537	3.6553	1.4605	4.8612		3.9024	2.1001	5.7141	1.0957	4.9836	1.0928	5.1562	1.1002
H7	2.0310	3.1179	1.0164	2.4491	2.1001	3.9024		2.3332	2.3907	4.4415	2.9658	4.3186	2.5717	4.4332
H8	2.0310	3.1179	2.4491	1.0164	3.9024	2.1001	2.3332		4.4415	2.3907	4.3186	2.9658	4.4332	2.5717
H9	3.3335	3.8056	2.0853	4.4079	1.0957	5.7141	2.3907	4.4415		6.4930	1.7840	5.9505	1.7928	5.9889
H10	3.3335	3.8056	4.4079	2.0853	5.7141	1.0957	4.4415	2.3907	6.4930		5.9505	1.7840	5.9889	1.7928
H11	2.6459	2.5673	2.0836	3.9901	1.0928	4.9836	2.9658	4.3186	1.7840	5.9505		5.0560	1.7761	5.0731
H12	2.6459	2.5673	3.9901	2.0836	4.9836	1.0928	4.3186	2.9658	5.9505	1.7840	5.0560		5.0731	1.7761
H13	2.8185	2.9441	2.1435	4.0179	1.1002	5.1562	2.5717	4.4332	1.7928	5.9889	1.7761	5.0731		5.6007
H14	2.8185	2.9441	4.0179	2.1435	5.1562	1.1002	4.4332	2.5717	5.9889	1.7928	5.0731	1.7761	5.6007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.992	C1	N3	H7	114.148
C1	N4	C6	116.992	C1	N4	H8	114.148
O2	C1	N3	123.376	O2	C1	N4	123.376
N3	C1	N4	113.248	N3	C5	H9	108.494
N3	C5	H11	108.531	N3	C5	H13	112.913
N4	C6	H10	108.494	N4	C6	H12	108.531
N4	C6	H14	112.913	C5	N3	H7	114.781
C6	N4	H8	114.781	H9	C5	H11	109.209
H9	C5	H13	109.466	H10	C6	H12	109.209
H10	C6	H14	109.466	H11	C5	H13	108.172
H12	C6	H14	108.172

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

using model chemistry: QCISD(T)=FULL/6-31G*

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: QCISD(T)=FULL/6-31G*

States and conformations

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