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	hartrees
Energy at 0K	-302.972942
Energy at 298.15K	-302.983164
HF Energy	-302.038935
Nuclear repulsion energy	247.779064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3609	3437	17.02
2	A	3194	3041	12.13
3	A	3142	2992	11.54
4	A	3064	2917	4.64
5	A	1827	1740	219.42
6	A	1568	1493	14.71
7	A	1540	1467	0.22
8	A	1522	1449	6.15
9	A	1494	1423	4.17
10	A	1231	1172	0.07
11	A	1204	1147	1.07
12	A	1168	1112	7.88
13	A	946	901	0.09
14	A	583	555	135.33
15	A	462	440	33.31
16	A	230	219	3.74
17	A	200	190	0.22
18	A	112	107	0.37
19	B	3607	3435	10.84
20	B	3193	3041	8.36
21	B	3142	2992	51.57
22	B	3063	2917	94.12
23	B	1607	1531	371.30
24	B	1555	1481	5.60
25	B	1535	1462	58.79
26	B	1497	1425	7.73
27	B	1307	1245	199.52
28	B	1185	1128	15.01
29	B	1171	1115	19.65
30	B	1073	1022	1.35
31	B	771	734	66.59
32	B	750	715	11.84
33	B	514	490	104.27
34	B	327	312	45.37
35	B	127	121	7.81
36	B	122	116	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.090
O2	0.000	0.000	1.317
N3	0.000	1.160	-0.673
N4	0.000	-1.160	-0.673
C5	-0.252	2.419	0.023
C6	0.252	-2.419	0.023
H7	-0.461	1.070	-1.572
H8	0.461	-1.070	-1.572
H9	-0.064	3.243	-0.672
H10	0.064	-3.243	-0.672
H11	0.439	2.496	0.865
H12	-0.439	-2.496	0.865
H13	-1.277	2.494	0.411
H14	1.277	-2.494	0.411

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2268	1.3888	1.3888	2.4325	2.4325	2.0294	2.0294	3.3323	3.3323	2.6501	2.6501	2.8207	2.8207
O2	1.2268		2.3034	2.3034	2.7547	2.7547	3.1147	3.1147	3.8054	3.8054	2.5744	2.5744	2.9453	2.9453
N3	1.3888	2.3034		2.3209	1.4593	3.6545	1.0143	2.4482	2.0837	4.4041	2.0833	3.9909	2.1413	4.0204
N4	1.3888	2.3034	2.3209		3.6545	1.4593	2.4482	1.0143	4.4041	2.0837	3.9909	2.0833	4.0204	2.1413
C5	2.4325	2.7547	1.4593	3.6545		4.8632	2.0988	3.9008	1.0948	5.7129	1.0919	4.9898	1.0991	5.1600
C6	2.4325	2.7547	3.6545	1.4593	4.8632		3.9008	2.0988	5.7129	1.0948	4.9898	1.0919	5.1600	1.0991
H7	2.0294	3.1147	1.0143	2.4482	2.0988	3.9008		2.3292	2.3854	4.4366	2.9632	4.3188	2.5744	4.4332
H8	2.0294	3.1147	2.4482	1.0143	3.9008	2.0988	2.3292		4.4366	2.3854	4.3188	2.9632	4.4332	2.5744
H9	3.3323	3.8054	2.0837	4.4041	1.0948	5.7129	2.3854	4.4366		6.4876	1.7817	5.9535	1.7907	5.9911
H10	3.3323	3.8054	4.4041	2.0837	5.7129	1.0948	4.4366	2.3854	6.4876		5.9535	1.7817	5.9911	1.7907
H11	2.6501	2.5744	2.0833	3.9909	1.0919	4.9898	2.9632	4.3188	1.7817	5.9535		5.0688	1.7749	5.0809
H12	2.6501	2.5744	3.9909	2.0833	4.9898	1.0919	4.3188	2.9632	5.9535	1.7817	5.0688		5.0809	1.7749
H13	2.8207	2.9453	2.1413	4.0204	1.0991	5.1600	2.5744	4.4332	1.7907	5.9911	1.7749	5.0809		5.6049
H14	2.8207	2.9453	4.0204	2.1413	5.1600	1.0991	4.4332	2.5744	5.9911	1.7907	5.0809	1.7749	5.6049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.301	C1	N3	H7	114.335
C1	N4	C6	117.301	C1	N4	H8	114.335
O2	C1	N3	123.322	O2	C1	N4	123.322
N3	C1	N4	113.356	N3	C5	H9	108.498
N3	C5	H11	108.640	N3	C5	H13	112.887
N4	C6	H10	108.498	N4	C6	H12	108.640
N4	C6	H14	112.887	C5	N3	H7	114.903
C6	N4	H8	114.903	H9	C5	H11	109.133
H9	C5	H13	109.412	H10	C6	H12	109.133
H10	C6	H14	109.412	H11	C5	H13	108.212
H12	C6	H14	108.212

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

using model chemistry: QCISD/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/6-31G*

States and conformations

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