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	hartrees
Energy at 0K	-263.790407
Energy at 298.15K	-263.798745
HF Energy	-263.008498
Nuclear repulsion energy	182.560127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3710	3512	26.06
2	A	3654	3458	32.96
3	A	3600	3408	23.85
4	A	3180	3010	17.40
5	A	3135	2968	33.84
6	A	3071	2907	36.26
7	A	1885	1784	465.70
8	A	1692	1602	139.72
9	A	1570	1486	31.66
10	A	1545	1463	13.02
11	A	1539	1457	63.97
12	A	1505	1425	36.84
13	A	1463	1385	130.94
14	A	1237	1171	3.07
15	A	1187	1123	40.39
16	A	1179	1116	4.87
17	A	1117	1057	26.64
18	A	919	869	4.07
19	A	808	765	116.56
20	A	670	634	43.84
21	A	629	596	229.24
22	A	560	530	23.66
23	A	509	482	47.31
24	A	419	397	77.65
25	A	296	280	1.87
26	A	180	171	4.76
27	A	111	105	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	-1.864	0.055	0.127
H2	-2.071	0.876	-0.570
H3	-2.694	-0.652	0.048
H4	-1.835	0.460	1.147
H5	-0.631	-1.645	-0.087
N6	-0.638	-0.644	-0.239
C7	0.620	-0.114	-0.029
H8	0.003	1.783	-0.534
H9	1.611	1.619	-0.032
N10	0.661	1.273	0.043
O11	1.614	-0.811	0.101

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0967	1.0933	1.0978	2.1104	1.4578	2.4942	2.6282	3.8131	2.8044	3.5843
H2	1.0967		1.7620	1.7826	2.9429	2.1152	2.9181	2.2641	3.7941	2.8279	4.1084
H3	1.0933	1.7620		1.7834	2.2929	2.0758	3.3580	3.6799	4.8671	3.8679	4.3114
H4	1.0978	1.7826	1.7834		2.7203	2.1385	2.7820	2.8210	3.8218	2.8481	3.8219
H5	2.1104	2.9429	2.2929	2.7203		1.0122	1.9779	3.5146	3.9598	3.1942	2.4029
N6	1.4578	2.1152	2.0758	2.1385	1.0122		1.3811	2.5276	3.1967	2.3331	2.2840
C7	2.4942	2.9181	3.3580	2.7820	1.9779	1.3811		2.0581	1.9961	1.3901	1.2211
H8	2.6282	2.2641	3.6799	2.8210	3.5146	2.5276	2.0581		1.6921	1.0127	3.1191
H9	3.8131	3.7941	4.8671	3.8218	3.9598	3.1967	1.9961	1.6921		1.0132	2.4334
N10	2.8044	2.8279	3.8679	2.8481	3.1942	2.3331	1.3901	1.0127	1.0132		2.2929
O11	3.5843	4.1084	4.3114	3.8219	2.4029	2.2840	1.2211	3.1191	2.4334	2.2929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	116.221	C1	N6	C7	122.924
H2	C1	H3	107.139	H2	C1	H4	108.641
H2	C1	N6	111.011	H3	C1	H4	108.960
H3	C1	N6	108.070	H4	C1	N6	112.845
H5	N6	C7	110.517	N6	C7	N10	114.685
N6	C7	O11	122.613	C7	N10	H8	116.984
C7	N10	H9	111.343	H8	N10	H9	113.273
N10	C7	O11	122.695

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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