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	hartrees
Energy at 0K	-263.445057
Energy at 298.15K	-263.452833
HF Energy	-262.937142
Nuclear repulsion energy	178.683034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3782	3651	41.42
2	A	3664	3537	44.39
3	A	3630	3504	48.21
4	A	3153	3044	23.45
5	A	3091	2984	51.36
6	A	3009	2905	55.29
7	A	1714	1655	331.44
8	A	1666	1608	270.09
9	A	1569	1515	25.82
10	A	1531	1478	8.10
11	A	1519	1466	60.28
12	A	1478	1427	28.04
13	A	1426	1377	286.95
14	A	1207	1165	2.01
15	A	1171	1130	0.33
16	A	1141	1102	40.99
17	A	1077	1040	34.37
18	A	867	837	4.80
19	A	721	696	64.09
20	A	562	542	6.28
21	A	537	519	214.25
22	A	512	494	10.22
23	A	440	424	9.50
24	A	305	295	280.34
25	A	289	279	4.21
26	A	134	129	20.42
27	A	59	57	10.87

Atom	x (Å)	y (Å)	z (Å)
C1	-1.926	0.040	0.000
H2	-2.038	0.670	-0.902
H3	-2.739	-0.703	0.000
H4	-2.038	0.670	0.902
H5	-0.636	-1.703	-0.000
N6	-0.638	-0.688	-0.000
C7	0.635	-0.106	-0.000
H8	-0.163	1.883	-0.000
H9	1.577	1.735	0.000
N10	0.662	1.298	0.000
O11	1.702	-0.803	0.000

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1058	1.1006	1.1058	2.1686	1.4793	2.5655	2.5504	3.8914	2.8780	3.7248
H2	1.1058		1.7855	1.8034	2.9003	2.1487	2.9261	2.4081	3.8748	2.9155	4.1198
H3	1.1006	1.7855		1.7855	2.3283	2.1003	3.4260	3.6493	4.9561	3.9456	4.4418
H4	1.1058	1.8034	1.7855		2.9003	2.1487	2.9261	2.4084	3.8748	2.9155	4.1196
H5	2.1686	2.9003	2.3283	2.9003		1.0155	2.0416	3.6172	4.0889	3.2699	2.5059
N6	1.4793	2.1487	2.1003	2.1487	1.0155		1.4001	2.6141	3.2827	2.3736	2.3432
C7	2.5655	2.9261	3.4260	2.9261	2.0416	1.4001		2.1429	2.0678	1.4039	1.2743
H8	2.5504	2.4081	3.6493	2.4084	3.6172	2.6141	2.1429		1.7460	1.0118	3.2696
H9	3.8914	3.8748	4.9561	3.8748	4.0889	3.2827	2.0678	1.7460		1.0135	2.5407
N10	2.8780	2.9155	3.9456	2.9155	3.2699	2.3736	1.4039	1.0118	1.0135		2.3435
O11	3.7248	4.1198	4.4418	4.1196	2.5059	2.3432	1.2743	3.2696	2.5407	2.3435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	119.582	C1	N6	C7	125.975
H2	C1	H3	108.043	H2	C1	H4	109.259
H2	C1	N6	111.628	H3	C1	H4	108.044
H3	C1	N6	108.103	H4	C1	N6	111.627
H5	N6	C7	114.443	N6	C7	N10	115.669
N6	C7	O11	122.301	C7	N10	H8	124.215
C7	N10	H9	116.678	H8	N10	H9	119.107
N10	C7	O11	122.029

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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