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	hartrees
Energy at 0K	-49.439581
Energy at 298.15K	-49.448082
Nuclear repulsion energy	102.160553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3995	3645	43.17
2	A	3878	3539	40.92
3	A	3837	3501	45.30
4	A	3277	2990	34.94
5	A	3216	2935	65.40
6	A	3145	2870	61.99
7	A	1830	1670	428.39
8	A	1781	1625	356.51
9	A	1664	1518	26.79
10	A	1639	1495	9.06
11	A	1625	1483	92.68
12	A	1582	1444	64.63
13	A	1547	1412	269.29
14	A	1300	1186	0.64
15	A	1256	1146	0.68
16	A	1228	1120	58.31
17	A	1172	1069	24.32
18	A	939	857	5.61
19	A	839	765	166.37
20	A	608	555	11.95
21	A	600	548	239.44
22	A	566	517	0.27
23	A	560	511	18.21
24	A	452	412	228.20
25	A	304	277	5.36
26	A	175	159	2.01
27	A	132	121	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-1.876	0.065	-0.000
H2	-1.978	0.690	-0.884
H3	-2.690	-0.647	-0.004
H4	-1.982	0.686	0.886
H5	-0.631	-1.667	0.001
N6	-0.616	-0.673	0.001
C7	0.645	-0.131	0.000
H8	-0.044	1.847	0.002
H9	1.653	1.625	-0.000
N10	0.739	1.240	-0.000
O11	1.665	-0.851	-0.000

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0873	1.0821	1.0873	2.1329	1.4602	2.5283	2.5559	3.8584	2.8664	3.6573
H2	1.0873		1.7524	1.7703	2.8550	2.1204	2.8869	2.4220	3.8522	2.9092	4.0526
H3	1.0821	1.7524		1.7526	2.2976	2.0739	3.3746	3.6369	4.9018	3.9140	4.3596
H4	1.0873	1.7703	1.7526		2.8538	2.1206	2.8903	2.4265	3.8577	2.9147	4.0558
H5	2.1329	2.8550	2.2976	2.8538		0.9934	1.9963	3.5625	4.0067	3.2132	2.4362
N6	1.4602	2.1204	2.0739	2.1206	0.9934		1.3727	2.5847	3.2301	2.3446	2.2879
C7	2.5283	2.8869	3.3746	2.8903	1.9963	1.3727		2.0945	2.0253	1.3745	1.2485
H8	2.5559	2.4220	3.6369	2.4265	3.5625	2.5847	2.0945		1.7109	0.9900	3.1935
H9	3.8584	3.8522	4.9018	3.8577	4.0067	3.2301	2.0253	1.7109		0.9922	2.4765
N10	2.8664	2.9092	3.9140	2.9147	3.2132	2.3446	1.3745	0.9900	0.9922		2.2872
O11	3.6573	4.0526	4.3596	4.0558	2.4362	2.2879	1.2485	3.1935	2.4765	2.2872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	119.544	C1	N6	C7	126.348
H2	C1	H3	107.763	H2	C1	H4	108.997
H2	C1	N6	111.849	H3	C1	H4	107.782
H3	C1	N6	108.415	H4	C1	N6	111.868
H5	N6	C7	114.108	N6	C7	N10	117.181
N6	C7	O11	121.514	C7	N10	H8	123.895
C7	N10	H9	116.762	H8	N10	H9	119.343
N10	C7	O11	121.305

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	C	-0.346
2	H	0.167
3	H	0.166
4	H	0.167
5	H	0.369
6	N	-0.459
7	C	0.276
8	H	0.352
9	H	0.368
10	N	-0.668
11	O	-0.392

	x	y	z	Total
	-4.723	2.961	0.004	5.574
CHELPG
AIM
ESP

	x	y	z
x	6.334	-0.317	-0.001
y	-0.317	5.513	0.001
z	-0.001	0.001	3.745

<r²>	100.592
(<r²>)^1/2	10.030

All results from a given calculation for C2H6N2O (Urea, methyl-)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)