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	hartrees
Energy at 0K	-264.682102
Energy at 298.15K	-264.690102
Nuclear repulsion energy	182.846234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3702	3580	39.07
2	A	3648	3527	43.95
3	A	3587	3468	23.09
4	A	3115	3012	13.86
5	A	3041	2941	32.37
6	A	3000	2901	48.69
7	A	1764	1706	541.74
8	A	1625	1571	130.61
9	A	1525	1475	37.21
10	A	1495	1446	10.68
11	A	1488	1439	47.92
12	A	1450	1402	17.52
13	A	1401	1355	185.12
14	A	1203	1163	2.01
15	A	1155	1117	3.08
16	A	1131	1094	33.43
17	A	1073	1037	33.21
18	A	885	856	5.47
19	A	773	747	32.01
20	A	585	566	20.42
21	A	550	531	44.45
22	A	510	493	74.82
23	A	452	437	14.65
24	A	365	353	164.35
25	A	279	270	4.06
26	A	150	145	1.61
27	A	90	87	4.24

Atom	x (Å)	y (Å)	z (Å)
C1	-1.883	0.054	0.055
H2	-2.056	0.760	-0.762
H3	-2.697	-0.666	0.031
H4	-1.936	0.596	1.003
H5	-0.629	-1.660	-0.029
N6	-0.630	-0.657	-0.106
C7	0.625	-0.113	-0.013
H8	-0.082	1.819	-0.321
H9	1.596	1.647	-0.082
N10	0.673	1.267	0.047
O11	1.631	-0.801	0.040

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0936	1.0875	1.0933	2.1247	1.4491	2.5144	2.5495	3.8287	2.8294	3.6156
H2	1.0936		1.7536	1.7759	2.9031	2.1146	2.9175	2.2825	3.8189	2.8911	4.0827
H3	1.0875	1.7536		1.7657	2.2952	2.0717	3.3688	3.6250	4.8783	3.8858	4.3300
H4	1.0933	1.7759	1.7657		2.8037	2.1223	2.8447	2.5854	3.8412	2.8585	3.9491
H5	2.1247	2.9031	2.2952	2.8037		1.0055	1.9918	3.5340	3.9862	3.2045	2.4185
N6	1.4491	2.1146	2.0717	2.1223	1.0055		1.3717	2.5456	3.2042	2.3293	2.2700
C7	2.5144	2.9175	3.3688	2.8447	1.9918	1.3717		2.0808	2.0111	1.3820	1.2192
H8	2.5495	2.2825	3.6250	2.5854	3.5340	2.5456	2.0808		1.7042	1.0058	3.1513
H9	3.8287	3.8189	4.8783	3.8412	3.9862	3.2042	2.0111	1.7042		1.0062	2.4511
N10	2.8294	2.8911	3.8858	2.8585	3.2045	2.3293	1.3820	1.0058	1.0062		2.2787
O11	3.6156	4.0827	4.3300	3.9491	2.4185	2.2700	1.2192	3.1513	2.4511	2.2787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	118.788	C1	N6	C7	126.077
H2	C1	H3	107.023	H2	C1	H4	108.603
H2	C1	N6	111.771	H3	C1	H4	108.129
H3	C1	N6	108.678	H4	C1	N6	112.432
H5	N6	C7	112.930	N6	C7	N10	115.529
N6	C7	O11	122.254	C7	N10	H8	120.430
C7	N10	H9	113.791	H8	N10	H9	115.778
N10	C7	O11	122.203

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.105
2	H	0.140
3	H	0.142
4	H	0.153
5	H	0.203
6	N	-0.788
7	C	1.371
8	H	0.199
9	H	0.207
10	N	-0.724
11	O	-0.797

	x	y	z	Total
	-3.782	2.123	-0.544	4.371
CHELPG
AIM
ESP

	x	y	z
x	8.570	-0.181	0.047
y	-0.181	7.368	0.032
z	0.047	0.032	5.283

<r²>	119.558
(<r²>)^1/2	10.934

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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