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	hartrees
Energy at 0K	-225.108771
Energy at 298.15K
HF Energy	-224.878628
Nuclear repulsion energy	123.389246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3776	3634	58.02
2	A₁	3634	3497	7.00
3	A₁	1758	1692	489.72
4	A₁	1625	1564	1.11
5	A₁	1139	1096	1.65
6	A₁	970	934	10.92
7	A₁	475	457	2.90
8	A₂	377	363	0.00
9	A₂	353i	340i	0.00
10	B₁	765	736	3.10
11	B₁	569	547	9.55
12	B₁	251i	242i	425.51
13	B₂	3774	3631	44.58
14	B₂	3626	3490	73.75
15	B₂	1626	1565	263.72
16	B₂	1422	1369	217.50
17	B₂	989	951	16.06
18	B₂	559	538	13.80

Atom	y (Å)	z (Å)
C1	0.000	0.139
O2	0.000	1.368
N3	1.162	-0.599
N4	-1.162	-0.599
H5	2.030	-0.089
H6	1.183	-1.605
H7	-2.030	-0.089
H8	-1.183	-1.605

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2287	1.3769	1.3769	2.0423	2.1080	2.0423	2.1080
O2	1.2287		2.2848	2.2848	2.4982	3.2000	2.4982	3.2000
N3	1.3769	2.2848		2.3242	1.0065	1.0062	3.2322	2.5521
N4	1.3769	2.2848	2.3242		3.2322	2.5521	1.0065	1.0062
H5	2.0423	2.4982	1.0065	3.2322		1.7365	4.0590	3.5528
H6	2.1080	3.2000	1.0062	2.5521	1.7365		3.5528	2.3667
H7	2.0423	2.4982	3.2322	1.0065	4.0590	3.5528		1.7365
H8	2.1080	3.2000	2.5521	1.0062	3.5528	2.3667	1.7365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.090	C1	N3	H6	123.648
C1	N4	H7	117.090	C1	N4	H8	123.648
O2	C1	N3	122.436	O2	C1	N4	122.436
N3	C1	N4	115.128	H5	N3	H6	119.262
H7	N4	H8	119.262

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

	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 NH2CONH2 (Urea)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)