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	hartrees
Energy at 0K	-264.297029
Energy at 298.15K
HF Energy	-264.041092
Nuclear repulsion energy	182.409137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3706	3516	27.27
2	A	3650	3463	33.73
3	A	3591	3407	19.91
4	A	3182	3019	17.43
5	A	3122	2962	38.89
6	A	3067	2910	43.15
7	A	1830	1736	399.64
8	A	1675	1589	126.59
9	A	1569	1489	25.69
10	A	1540	1461	6.99
11	A	1526	1448	45.50
12	A	1479	1403	31.94
13	A	1436	1362	163.47
14	A	1224	1161	2.04
15	A	1179	1118	13.79
16	A	1162	1102	27.47
17	A	1099	1043	31.01
18	A	902	855	3.33
19	A	784	744	91.58
20	A	635	602	41.82
21	A	604	573	195.08
22	A	546	518	18.64
23	A	501	475	44.24
24	A	408	387	91.19
25	A	287	272	2.62
26	A	169	160	4.36
27	A	111	106	5.87

Atom	x (Å)	y (Å)	z (Å)
C1	-1.876	0.044	0.092
H2	-2.081	0.801	-0.673
H3	-2.693	-0.677	0.056
H4	-1.884	0.531	1.074
H5	-0.622	-1.659	-0.060
N6	-0.630	-0.656	-0.174
C7	0.629	-0.112	-0.023
H8	-0.071	1.806	-0.425
H9	1.581	1.656	-0.048
N10	0.650	1.275	0.042
O11	1.639	-0.798	0.072

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0956	1.0906	1.0960	2.1199	1.4529	2.5122	2.5746	3.8166	2.8104	3.6138
H2	1.0956		1.7579	1.7781	2.9248	2.1155	2.9324	2.2606	3.8120	2.8627	4.1167
H3	1.0906	1.7579		1.7751	2.2949	2.0754	3.3708	3.6429	4.8704	3.8715	4.3335
H4	1.0960	1.7781	1.7751		2.7703	2.1302	2.8165	2.6753	3.8116	2.8353	3.8961
H5	2.1199	2.9248	2.2949	2.7703		1.0092	1.9899	3.5272	3.9799	3.1996	2.4227
N6	1.4529	2.1155	2.0754	2.1302	1.0092		1.3804	2.5372	3.2018	2.3274	2.2870
C7	2.5122	2.9324	3.3708	2.8165	1.9899	1.3804		2.0807	2.0078	1.3888	1.2244
H8	2.5746	2.2606	3.6429	2.6753	3.5272	2.5372	2.0807		1.7014	1.0101	3.1545
H9	3.8166	3.8120	4.8704	3.8116	3.9799	3.2018	2.0078	1.7014		1.0097	2.4573
N10	2.8104	2.8627	3.8715	2.8353	3.1996	2.3274	1.3888	1.0101	1.0097		2.2970
O11	3.6138	4.1167	4.3335	3.8961	2.4227	2.2870	1.2244	3.1545	2.4573	2.2970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.729	C1	N6	C7	124.893
H2	C1	H3	107.048	H2	C1	H4	108.452
H2	C1	N6	111.446	H3	C1	H4	108.551
H3	C1	N6	108.525	H4	C1	N6	112.631
H5	N6	C7	111.820	N6	C7	N10	114.381
N6	C7	O11	122.685	C7	N10	H8	119.470
C7	N10	H9	112.717	H8	N10	H9	114.778
N10	C7	O11	122.917

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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