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	hartrees
Energy at 0K	-225.171173
Energy at 298.15K
HF Energy	-224.923641
Nuclear repulsion energy	123.909616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3780	3607	59.92
2	A₁	3648	3481	8.05
3	A₁	1784	1702	505.54
4	A₁	1646	1570	0.05
5	A₁	1154	1101	0.51
6	A₁	970	925	11.92
7	A₁	486	464	2.64
8	A₂	337	321	0.00
9	A₂	440i	420i	0.00
10	B₁	753	718	2.52
11	B₁	554	528	11.00
12	B₁	346i	330i	497.07
13	B₂	3778	3605	44.53
14	B₂	3639	3472	74.70
15	B₂	1636	1561	250.96
16	B₂	1425	1360	263.38
17	B₂	995	950	17.53
18	B₂	571	545	12.49

Atom	y (Å)	z (Å)
C1	0.000	0.142
O2	0.000	1.362
N3	1.157	-0.598
N4	-1.157	-0.598
H5	2.022	-0.091
H6	1.179	-1.599
H7	-2.022	-0.091
H8	-1.179	-1.599

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2195	1.3733	1.3733	2.0356	2.1034	2.0356	2.1034
O2	1.2195		2.2754	2.2754	2.4899	3.1874	2.4899	3.1874
N3	1.3733	2.2754		2.3140	1.0026	1.0022	3.2193	2.5422
N4	1.3733	2.2754	2.3140		3.2193	2.5422	1.0026	1.0022
H5	2.0356	2.4899	1.0026	3.2193		1.7280	4.0444	3.5392
H6	2.1034	3.1874	1.0022	2.5422	1.7280		3.5392	2.3589
H7	2.0356	2.4899	3.2193	1.0026	4.0444	3.5392		1.7280
H8	2.1034	3.1874	2.5422	1.0022	3.5392	2.3589	1.7280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.057	C1	N3	H6	123.876
C1	N4	H7	117.057	C1	N4	H8	123.876
O2	C1	N3	122.593	O2	C1	N4	122.593
N3	C1	N4	114.813	H5	N3	H6	119.068
H7	N4	H8	119.068

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)