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	hartrees
Energy at 0K	-224.786918
Energy at 298.15K
HF Energy	-224.038628
Nuclear repulsion energy	124.342067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3852	3852	50.87
2	A₁	3727	3727	10.24
3	A₁	1888	1888	552.20
4	A₁	1712	1712	1.85
5	A₁	1195	1195	0.40
6	A₁	1004	1004	11.32
7	A₁	495	495	2.76
8	A₂	362	362	0.00
9	A₂	539i	539i	0.00
10	B₁	796	796	7.67
11	B₁	571	571	12.59
12	B₁	434i	434i	605.21
13	B₂	3850	3850	31.16
14	B₂	3719	3719	72.12
15	B₂	1706	1706	301.02
16	B₂	1482	1482	250.01
17	B₂	1033	1033	10.34
18	B₂	580	580	15.92

Atom	y (Å)	z (Å)
C1	0.000	0.145
O2	0.000	1.355
N3	1.154	-0.595
N4	-1.154	-0.595
H5	2.018	-0.090
H6	1.178	-1.595
H7	-2.018	-0.090
H8	-1.178	-1.595

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2096	1.3714	1.3714	2.0313	2.1008	2.0313	2.1008
O2	1.2096		2.2660	2.2660	2.4816	3.1756	2.4816	3.1756
N3	1.3714	2.2660		2.3088	1.0000	0.9995	3.2119	2.5373
N4	1.3714	2.2660	2.3088		3.2119	2.5373	1.0000	0.9995
H5	2.0313	2.4816	1.0000	3.2119		1.7227	4.0351	3.5317
H6	2.1008	3.1756	0.9995	2.5373	1.7227		3.5317	2.3557
H7	2.0313	2.4816	3.2119	1.0000	4.0351	3.5317		1.7227
H8	2.1008	3.1756	2.5373	0.9995	3.5317	2.3557	1.7227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.001	C1	N3	H6	124.015
C1	N4	H7	117.001	C1	N4	H8	124.015
O2	C1	N3	122.672	O2	C1	N4	122.672
N3	C1	N4	114.656	H5	N3	H6	118.984
H7	N4	H8	118.984

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)