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	hartrees
Energy at 0K	-223.726296
Energy at 298.15K
HF Energy	-223.581837
Nuclear repulsion energy	122.564972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3717	3539	30.81
2	A₁	3588	3416	5.61
3	A₁	1767	1682	300.17
4	A₁	1704	1622	4.51
5	A₁	1170	1113	0.93
6	A₁	948	903	7.54
7	A₁	491	467	2.58
8	A₂	455	433	0.00
9	A₂	118i	112i	0.00
10	B₁	790	752	105.76
11	B₁	579	551	61.66
12	B₁	413	393	648.63
13	B₂	3714	3535	33.85
14	B₂	3579	3407	45.02
15	B₂	1681	1600	159.48
16	B₂	1421	1353	301.05
17	B₂	1010	962	21.45
18	B₂	559	532	13.05

Atom	y (Å)	z (Å)
C1	0.000	0.147
O2	0.000	1.390
N3	1.160	-0.610
N4	-1.160	-0.610
H5	2.035	-0.109
H6	1.173	-1.619
H7	-2.035	-0.109
H8	-1.173	-1.619

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2433	1.3849	1.3849	2.0508	2.1197	2.0508	2.1197
O2	1.2433		2.3122	2.3122	2.5273	3.2294	2.5273	3.2294
N3	1.3849	2.3122		2.3192	1.0086	1.0085	3.2335	2.5414
N4	1.3849	2.3122	2.3192		3.2335	2.5414	1.0086	1.0085
H5	2.0508	2.5273	1.0086	3.2335		1.7383	4.0695	3.5454
H6	2.1197	3.2294	1.0085	2.5414	1.7383		3.5454	2.3463
H7	2.0508	2.5273	3.2335	1.0086	4.0695	3.5454		1.7383
H8	2.1197	3.2294	2.5414	1.0085	3.5454	2.3463	1.7383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.051	C1	N3	H6	123.909
C1	N4	H7	117.051	C1	N4	H8	123.909
O2	C1	N3	123.141	O2	C1	N4	123.141
N3	C1	N4	113.718	H5	N3	H6	119.040
H7	N4	H8	119.040

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: B2PLYP=FULL/3-21G

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/3-21G

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)