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	hartrees
Energy at 0K	-49.430687
Energy at 298.15K	-49.439219
Nuclear repulsion energy	101.970961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4034	3636	56.62
2	A	3915	3529	52.66
3	A	3877	3495	55.30
4	A	3333	3004	56.25
5	A	3274	2951	87.91
6	A	3207	2891	71.88
7	A	1831	1651	464.09
8	A	1780	1605	337.26
9	A	1662	1498	31.78
10	A	1640	1478	9.15
11	A	1633	1472	93.12
12	A	1579	1424	55.59
13	A	1556	1403	278.41
14	A	1303	1175	1.07
15	A	1262	1137	0.63
16	A	1227	1106	56.58
17	A	1177	1061	22.82
18	A	946	853	5.28
19	A	851	767	218.63
20	A	618	557	303.43
21	A	608	548	12.83
22	A	591	533	15.89
23	A	563	507	18.98
24	A	476	429	184.92
25	A	304	274	5.15
26	A	181	163	2.02
27	A	138	125	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	1.876	0.064	0.000
H2	1.977	0.690	0.887
H3	2.695	-0.648	0.001
H4	1.978	0.689	-0.887
H5	0.630	-1.676	-0.001
N6	0.616	-0.679	-0.001
C7	-0.645	-0.132	-0.000
H8	0.052	1.852	-0.001
H9	-1.651	1.631	0.000
N10	-0.733	1.243	-0.000
O11	-1.670	-0.848	0.000

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0902	1.0852	1.0902	2.1408	1.4625	2.5289	2.5544	3.8597	2.8635	3.6618
H2	1.0902		1.7582	1.7745	2.8639	2.1240	2.8873	2.4177	3.8516	2.9049	4.0561
H3	1.0852	1.7582		1.7583	2.3066	2.0784	3.3795	3.6383	4.9073	3.9152	4.3693
H4	1.0902	1.7745	1.7583		2.8635	2.1242	2.8885	2.4183	3.8533	2.9063	4.0574
H5	2.1408	2.8639	2.3066	2.8635		0.9976	2.0027	3.5756	4.0175	3.2218	2.4443
N6	1.4625	2.1240	2.0784	2.1242	0.9976		1.3751	2.5933	3.2368	2.3484	2.2928
C7	2.5289	2.8873	3.3795	2.8885	2.0027	1.3751		2.1031	2.0296	1.3776	1.2507
H8	2.5544	2.4177	3.6383	2.4183	3.5756	2.5933	2.1031		1.7176	0.9941	3.2031
H9	3.8597	3.8516	4.9073	3.8533	4.0175	3.2368	2.0296	1.7176		0.9964	2.4795
N10	2.8635	2.9049	3.9152	2.9063	3.2218	2.3484	1.3776	0.9941	0.9964		2.2916
O11	3.6618	4.0561	4.3693	4.0574	2.4443	2.2928	1.2507	3.2031	2.4795	2.2916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	119.768	C1	N6	C7	126.031
H2	C1	H3	107.851	H2	C1	H4	108.948
H2	C1	N6	111.800	H3	C1	H4	107.852
H3	C1	N6	108.426	H4	C1	N6	111.808
H5	N6	C7	114.202	N6	C7	N10	117.112
N6	C7	O11	121.598	C7	N10	H8	124.132
C7	N10	H9	116.589	H8	N10	H9	119.279
N10	C7	O11	121.290

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	-0.331
2	H	0.148
3	H	0.171
4	H	0.148
5	H	0.384
6	N	-0.352
7	C	0.000
8	H	0.364
9	H	0.381
10	N	-0.587
11	O	-0.328

	x	y	z	Total
	4.848	3.046	-0.002	5.725
CHELPG
AIM
ESP

	x	y	z
x	6.020	0.368	-0.001
y	0.368	5.177	0.000
z	-0.001	0.000	3.310

<r²>	100.825
(<r²>)^1/2	10.041

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-)