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	hartrees
Energy at 0K	-225.059934
Energy at 298.15K
HF Energy	-224.842669
Nuclear repulsion energy	123.680635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3822	3822	50.67
2	A₁	3682	3682	7.29
3	A₁	1831	1831	408.14
4	A₁	1652	1652	1.79
5	A₁	1157	1157	0.16
6	A₁	982	982	7.72
7	A₁	480	480	2.89
8	A₂	376	376	0.00
9	A₂	439i	439i	0.00
10	B₁	766	766	12.56
11	B₁	575	575	12.35
12	B₁	328i	328i	547.96
13	B₂	3819	3819	45.02
14	B₂	3673	3673	68.09
15	B₂	1650	1650	287.95
16	B₂	1448	1448	207.46
17	B₂	999	999	11.32
18	B₂	562	562	14.93

Atom	y (Å)	z (Å)
C1	0.000	0.142
O2	0.000	1.367
N3	1.158	-0.600
N4	-1.158	-0.600
H5	2.020	-0.089
H6	1.183	-1.602
H7	-2.020	-0.089
H8	-1.183	-1.602

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2249	1.3747	1.3747	2.0333	2.1077	2.0333	2.1077
O2	1.2249		2.2820	2.2820	2.4897	3.1962	2.4897	3.1962
N3	1.3747	2.2820		2.3150	1.0029	1.0028	3.2186	2.5465
N4	1.3747	2.2820	2.3150		3.2186	2.5465	1.0029	1.0028
H5	2.0333	2.4897	1.0029	3.2186		1.7298	4.0404	3.5433
H6	2.1077	3.1962	1.0028	2.5465	1.7298		3.5433	2.3668
H7	2.0333	2.4897	3.2186	1.0029	4.0404	3.5433		1.7298
H8	2.1077	3.1962	2.5465	1.0028	3.5433	2.3668	1.7298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.688	C1	N3	H6	124.128
C1	N4	H7	116.688	C1	N4	H8	124.128
O2	C1	N3	122.650	O2	C1	N4	122.650
N3	C1	N4	114.701	H5	N3	H6	119.184
H7	N4	H8	119.184

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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/6-31G**

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)