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	hartrees
Energy at 0K	-225.112880
Energy at 298.15K
HF Energy	-224.855818
Nuclear repulsion energy	124.086907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3811	3811	54.83
2	A₁	3675	3675	7.95
3	A₁	1821	1821	390.11
4	A₁	1637	1637	2.66
5	A₁	1152	1152	0.40
6	A₁	977	977	8.26
7	A₁	479	479	2.99
8	A₂	380	380	0.00
9	A₂	426i	426i	0.00
10	B₁	785	785	7.96
11	B₁	579	579	8.79
12	B₁	330i	330i	438.98
13	B₂	3808	3808	41.61
14	B₂	3666	3666	73.22
15	B₂	1629	1629	254.81
16	B₂	1436	1436	200.41
17	B₂	991	991	12.16
18	B₂	562	562	14.71

Atom	y (Å)	z (Å)
C1	0.000	0.144
O2	0.000	1.361
N3	1.154	-0.598
N4	-1.154	-0.598
H5	2.017	-0.091
H6	1.177	-1.599
H7	-2.017	-0.091
H8	-1.177	-1.599

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2167	1.3720	1.3720	2.0310	2.1030	2.0310	2.1030
O2	1.2167		2.2735	2.2735	2.4855	3.1850	2.4855	3.1850
N3	1.3720	2.2735		2.3078	1.0014	1.0008	3.2116	2.5366
N4	1.3720	2.2735	2.3078		3.2116	2.5366	1.0014	1.0008
H5	2.0310	2.4855	1.0014	3.2116		1.7261	4.0348	3.5324
H6	2.1030	3.1850	1.0008	2.5366	1.7261		3.5324	2.3541
H7	2.0310	2.4855	3.2116	1.0014	4.0348	3.5324		1.7261
H8	2.1030	3.1850	2.5366	1.0008	3.5324	2.3541	1.7261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.825	C1	N3	H6	124.072
C1	N4	H7	116.825	C1	N4	H8	124.072
O2	C1	N3	122.748	O2	C1	N4	122.748
N3	C1	N4	114.503	H5	N3	H6	119.103
H7	N4	H8	119.103

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: B2PLYP=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: B2PLYP=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)