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	hartrees
Energy at 0K	-224.823147
Energy at 298.15K
HF Energy	-224.014173
Nuclear repulsion energy	124.793188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3880	3880	75.45
2	A₁	3748	3748	13.35
3	A₁	1890	1890	478.57
4	A₁	1663	1663	6.90
5	A₁	1180	1180	0.33
6	A₁	1005	1005	10.05
7	A₁	489	489	2.84
8	A₂	397	397	0.00
9	A₂	429i	429i	0.00
10	B₁	823	823	11.91
11	B₁	591	591	8.69
12	B₁	324i	324i	471.04
13	B₂	3877	3877	38.49
14	B₂	3740	3740	96.93
15	B₂	1658	1658	298.32
16	B₂	1475	1475	193.59
17	B₂	1017	1017	8.32
18	B₂	579	579	16.62

Atom	y (Å)	z (Å)
C1	0.000	0.145
O2	0.000	1.351
N3	1.148	-0.594
N4	-1.148	-0.594
H5	2.010	-0.090
H6	1.167	-1.591
H7	-2.010	-0.090
H8	-1.167	-1.591

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2066	1.3653	1.3653	2.0237	2.0916	2.0237	2.0916
O2	1.2066		2.2589	2.2589	2.4736	3.1653	2.4736	3.1653
N3	1.3653	2.2589		2.2961	0.9983	0.9972	3.1980	2.5204
N4	1.3653	2.2589	2.2961		3.1980	2.5204	0.9983	0.9972
H5	2.0237	2.4736	0.9983	3.1980		1.7214	4.0200	3.5134
H6	2.0916	3.1653	0.9972	2.5204	1.7214		3.5134	2.3336
H7	2.0237	2.4736	3.1980	0.9983	4.0200	3.5134		1.7214
H8	2.0916	3.1653	2.5204	0.9972	3.5134	2.3336	1.7214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.938	C1	N3	H6	123.840
C1	N4	H7	116.938	C1	N4	H8	123.840
O2	C1	N3	122.763	O2	C1	N4	122.763
N3	C1	N4	114.473	H5	N3	H6	119.222
H7	N4	H8	119.222

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: MP3=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)