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	hartrees
Energy at 0K	-224.900660
Energy at 298.15K
HF Energy	-224.753500
Nuclear repulsion energy	122.400029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3792	3792	37.33
2	A₁	3653	3653	6.55
3	A₁	1748	1748	313.85
4	A₁	1689	1689	58.30
5	A₁	1166	1166	2.65
6	A₁	973	973	5.76
7	A₁	485	485	2.95
8	A₂	482	482	0.00
9	A₂	73	73	0.00
10	B₁	754	754	121.81
11	B₁	575	575	121.87
12	B₁	456	456	644.41
13	B₂	3789	3789	38.21
14	B₂	3645	3645	59.08
15	B₂	1688	1688	216.26
16	B₂	1475	1475	289.69
17	B₂	1034	1034	13.46
18	B₂	559	559	14.08

Atom	y (Å)	z (Å)
C1	0.000	0.133
O2	0.000	1.389
N3	1.167	-0.607
N4	-1.167	-0.607
H5	2.033	-0.097
H6	1.195	-1.611
H7	-2.033	-0.097
H8	-1.195	-1.611

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2561	1.3818	1.3818	2.0459	2.1144	2.0459	2.1144
O2	1.2561		2.3120	2.3120	2.5180	3.2297	2.5180	3.2297
N3	1.3818	2.3120		2.3343	1.0050	1.0051	3.2406	2.5669
N4	1.3818	2.3120	2.3343		3.2406	2.5669	1.0050	1.0051
H5	2.0459	2.5180	1.0050	3.2406		1.7313	4.0661	3.5657
H6	2.1144	3.2297	1.0051	2.5669	1.7313		3.5657	2.3898
H7	2.0459	2.5180	3.2406	1.0050	4.0661	3.5657		1.7313
H8	2.1144	3.2297	2.5669	1.0051	3.5657	2.3898	1.7313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.131	C1	N3	H6	123.947
C1	N4	H7	117.131	C1	N4	H8	123.947
O2	C1	N3	122.364	O2	C1	N4	122.364
N3	C1	N4	115.271	H5	N3	H6	118.922
H7	N4	H8	118.922

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)