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	hartrees
Energy at 0K	-223.157367
Energy at 298.15K
HF Energy	-222.734723
Nuclear repulsion energy	122.681837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3747	3747	35.55
2	A₁	3622	3622	10.01
3	A₁	1807	1807	376.39
4	A₁	1735	1735	0.09
5	A₁	1188	1188	1.81
6	A₁	960	960	11.42
7	A₁	498	498	2.43
8	A₂	438	438	0.00
9	A₂	240i	240i	0.00
10	B₁	785	785	94.34
11	B₁	573	573	66.14
12	B₁	349	349	714.46
13	B₂	3744	3744	27.48
14	B₂	3615	3615	50.71
15	B₂	1710	1710	160.36
16	B₂	1437	1437	325.86
17	B₂	1025	1025	20.16
18	B₂	574	574	14.26

Atom	y (Å)	z (Å)
C1	0.000	0.148
O2	0.000	1.386
N3	1.161	-0.609
N4	-1.161	-0.609
H5	2.036	-0.110
H6	1.171	-1.616
H7	-2.036	-0.110
H8	-1.171	-1.616

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2381	1.3859	1.3859	2.0527	2.1176	2.0527	2.1176
O2	1.2381		2.3082	2.3082	2.5269	3.2226	2.5269	3.2226
N3	1.3859	2.3082		2.3219	1.0077	1.0073	3.2361	2.5406
N4	1.3859	2.3082	2.3219		3.2361	2.5406	1.0077	1.0073
H5	2.0527	2.5269	1.0077	3.2361		1.7369	4.0729	3.5439
H6	2.1176	3.2226	1.0073	2.5406	1.7369		3.5439	2.3429
H7	2.0527	2.5269	3.2361	1.0077	4.0729	3.5439		1.7369
H8	2.1176	3.2226	2.5406	1.0073	3.5439	2.3429	1.7369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.221	C1	N3	H6	123.700
C1	N4	H7	117.221	C1	N4	H8	123.700
O2	C1	N3	123.103	O2	C1	N4	123.103
N3	C1	N4	113.794	H5	N3	H6	119.079
H7	N4	H8	119.079

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: MP3=FULL/3-21G

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: MP3=FULL/3-21G

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)