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	hartrees
Energy at 0K	-263.109172
Energy at 298.15K	-263.117138
Nuclear repulsion energy	181.383878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3693	3563	30.12
2	A	3602	3476	31.66
3	A	3567	3442	23.79
4	A	3132	3022	15.33
5	A	3038	2931	54.72
6	A	3004	2898	46.10
7	A	1765	1703	335.96
8	A	1672	1613	99.44
9	A	1593	1537	32.29
10	A	1557	1503	6.93
11	A	1515	1461	46.58
12	A	1468	1416	1.24
13	A	1398	1349	255.00
14	A	1200	1157	1.92
15	A	1169	1128	0.64
16	A	1125	1085	31.14
17	A	1072	1034	31.73
18	A	879	848	4.98
19	A	798	770	110.62
20	A	567	547	7.08
21	A	553	533	150.00
22	A	531	512	9.83
23	A	469	453	3.22
24	A	360	348	241.94
25	A	292	282	3.90
26	A	141	136	3.74
27	A	62	60	6.94

Atom	x (Å)	y (Å)	z (Å)
C1	1.892	0.029	0.000
H2	2.010	0.659	0.893
H3	2.704	-0.701	-0.000
H4	2.010	0.660	-0.892
H5	0.612	-1.699	0.000
N6	0.618	-0.687	-0.000
C7	-0.638	-0.104	-0.000
H8	0.211	1.840	-0.001
H9	-1.527	1.738	0.000
N10	-0.627	1.278	0.000
O11	-1.685	-0.773	0.000

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0995	1.0924	1.0995	2.1501	1.4607	2.5334	2.4710	3.8222	2.8117	3.6649
H2	1.0995		1.7698	1.7851	2.8833	2.1324	2.8970	2.3300	3.8039	2.8522	4.0616
H3	1.0924	1.7698		1.7698	2.3179	2.0859	3.3954	3.5603	4.8840	3.8751	4.3893
H4	1.0995	1.7851	1.7698		2.8838	2.1323	2.8968	2.3286	3.8034	2.8516	4.0616
H5	2.1501	2.8833	2.3179	2.8838		1.0120	2.0266	3.5615	4.0481	3.2243	2.4763
N6	1.4607	2.1324	2.0859	2.1323	1.0120		1.3853	2.5596	3.2377	2.3263	2.3045
C7	2.5334	2.8970	3.3954	2.8968	2.0266	1.3853		2.1211	2.0450	1.3815	1.2417
H8	2.4710	2.3300	3.5603	2.3286	3.5615	2.5596	2.1211		1.7408	1.0094	3.2275
H9	3.8222	3.8039	4.8840	3.8034	4.0481	3.2377	2.0450	1.7408		1.0105	2.5154
N10	2.8117	2.8522	3.8751	2.8516	3.2243	2.3263	1.3815	1.0094	1.0105		2.3066
O11	3.6649	4.0616	4.3893	4.0616	2.4763	2.3045	1.2417	3.2275	2.5154	2.3066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	119.706	C1	N6	C7	125.765
H2	C1	H3	107.693	H2	C1	H4	108.539
H2	C1	N6	112.020	H3	C1	H4	107.686
H3	C1	N6	108.709	H4	C1	N6	112.013
H5	N6	C7	114.530	N6	C7	N10	114.448
N6	C7	O11	122.525	C7	N10	H8	124.303
C7	N10	H9	116.652	H8	N10	H9	119.045
N10	C7	O11	123.028

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

using model chemistry: B3LYP/3-21G

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	ESP
1	C	-0.388	-0.257
2	H	0.195	0.109
3	H	0.214	0.151
4	H	0.195	0.109
5	H	0.320	0.324
6	N	-0.706	-0.498
7	C	0.863	0.717
8	H	0.308	0.373
9	H	0.318	0.380
10	N	-0.779	-0.843
11	O	-0.540	-0.565

	x	y	z	Total
	3.676	2.157	-0.001	4.262
CHELPG
AIM
ESP	3.713	2.180	-0.001	4.305

	x	y	z
x	6.377	0.142	-0.001
y	0.142	5.411	0.000
z	-0.001	0.000	2.601

<r²>	120.160
(<r²>)^1/2	10.962

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

using model chemistry: B3LYP/3-21G

States and conformations

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