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	hartrees
Energy at 0K	-49.547855
Energy at 298.15K	-49.556310
Nuclear repulsion energy	102.746827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3941	3539	37.11
2	A	3875	3480	39.98
3	A	3822	3432	33.34
4	A	3322	2983	56.11
5	A	3286	2951	72.55
6	A	3226	2897	66.26
7	A	1951	1752	700.71
8	A	1796	1613	157.68
9	A	1646	1478	31.75
10	A	1626	1460	8.16
11	A	1616	1451	31.68
12	A	1592	1429	55.52
13	A	1519	1364	220.43
14	A	1301	1169	2.36
15	A	1244	1117	15.87
16	A	1231	1106	51.76
17	A	1165	1046	34.68
18	A	948	852	5.16
19	A	872	783	117.50
20	A	685	615	64.43
21	A	635	570	216.69
22	A	586	526	22.93
23	A	529	475	60.78
24	A	422	379	98.28
25	A	303	273	1.91
26	A	189	170	3.55
27	A	106	95	9.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.845	0.081	0.114
H2	-2.003	0.928	-0.554
H3	-2.687	-0.595	-0.015
H4	-1.837	0.444	1.144
H5	-0.643	-1.635	-0.102
N6	-0.626	-0.644	-0.238
C7	0.641	-0.145	-0.026
H8	0.087	1.782	-0.474
H9	1.686	1.552	-0.011
N10	0.737	1.238	0.058
O11	1.609	-0.865	0.093

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0906	1.0876	1.0917	2.1068	1.4613	2.5007	2.6406	3.8270	2.8300	3.5818
H2	1.0906		1.7545	1.7731	2.9373	2.1139	2.9023	2.2591	3.7802	2.8245	4.0849
H3	1.0876	1.7545		1.7737	2.2956	2.0736	3.3590	3.6820	4.8715	3.8846	4.3065
H4	1.0917	1.7731	1.7737		2.7026	2.1352	2.8034	2.8478	3.8693	2.9046	3.8336
H5	2.1068	2.9373	2.2956	2.7026		1.0007	1.9692	3.5144	3.9485	3.1916	2.3884
N6	1.4613	2.1139	2.0736	2.1352	1.0007		1.3787	2.5399	3.1967	2.3425	2.2707
C7	2.5007	2.9023	3.3590	2.8034	1.9692	1.3787		2.0544	1.9924	1.3885	1.2126
H8	2.6406	2.2591	3.6820	2.8478	3.5144	2.5399	2.0544		1.6801	1.0005	3.1061
H9	3.8270	3.7802	4.8715	3.8693	3.9485	3.1967	1.9924	1.6801		1.0016	2.4207
N10	2.8300	2.8245	3.8846	2.9046	3.1916	2.3425	1.3885	1.0005	1.0016		2.2772
O11	3.5818	4.0849	4.3065	3.8336	2.3884	2.2707	1.2126	3.1061	2.4207	2.2772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	116.428	C1	N6	C7	123.384
H2	C1	H3	107.317	H2	C1	H4	108.684
H2	C1	N6	111.030	H3	C1	H4	108.952
H3	C1	N6	107.986	H4	C1	N6	112.710
H5	N6	C7	110.704	N6	C7	N10	115.674
N6	C7	O11	122.261	C7	N10	H8	117.696
C7	N10	H9	111.919	H8	N10	H9	114.098
N10	C7	O11	122.060

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.327
2	H	0.125
3	H	0.171
4	H	0.152
5	H	0.366
6	N	-0.294
7	C	-0.065
8	H	0.338
9	H	0.375
10	N	-0.558
11	O	-0.284

	x	y	z	Total
	-3.605	2.338	-0.662	4.348
CHELPG
AIM
ESP

	x	y	z
x	6.182	-0.266	0.162
y	-0.266	5.327	-0.045
z	0.162	-0.045	3.692

<r²>	98.453
(<r²>)^1/2	9.922

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

using model chemistry: HF/CEP-31G*

States and conformations

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