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	hartrees
Energy at 0K	-223.726295
Energy at 298.15K
HF Energy	-223.581836
Nuclear repulsion energy	122.565321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3717	3717	30.77
2	A₁	3588	3588	5.61
3	A₁	1767	1767	300.36
4	A₁	1704	1704	4.38
5	A₁	1169	1169	0.92
6	A₁	948	948	7.55
7	A₁	491	491	2.58
8	A₂	455	455	0.00
9	A₂	118i	118i	0.00
10	B₁	790	790	105.65
11	B₁	579	579	61.76
12	B₁	413	413	648.62
13	B₂	3714	3714	33.89
14	B₂	3579	3579	45.01
15	B₂	1681	1681	159.54
16	B₂	1421	1421	300.97
17	B₂	1010	1010	21.46
18	B₂	559	559	13.05

Atom	y (Å)	z (Å)
C1	0.000	0.147
O2	0.000	1.390
N3	1.160	-0.610
N4	-1.160	-0.610
H5	2.035	-0.109
H6	1.173	-1.619
H7	-2.035	-0.109
H8	-1.173	-1.619

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2433	1.3849	1.3849	2.0508	2.1197	2.0508	2.1197
O2	1.2433		2.3122	2.3122	2.5274	3.2294	2.5274	3.2294
N3	1.3849	2.3122		2.3192	1.0086	1.0085	3.2335	2.5413
N4	1.3849	2.3122	2.3192		3.2335	2.5413	1.0086	1.0085
H5	2.0508	2.5274	1.0086	3.2335		1.7383	4.0695	3.5453
H6	2.1197	3.2294	1.0085	2.5413	1.7383		3.5453	2.3461
H7	2.0508	2.5274	3.2335	1.0086	4.0695	3.5453		1.7383
H8	2.1197	3.2294	2.5413	1.0085	3.5453	2.3461	1.7383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.056	C1	N3	H6	123.907
C1	N4	H7	117.056	C1	N4	H8	123.907
O2	C1	N3	123.143	O2	C1	N4	123.143
N3	C1	N4	113.714	H5	N3	H6	119.037
H7	N4	H8	119.037

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)