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	hartrees
Energy at 0K	-225.093463
Energy at 298.15K
HF Energy	-224.098397
Nuclear repulsion energy	124.492465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3815	3648	82.13
2	A₁	3671	3511	9.18
3	A₁	1797	1718	507.14
4	A₁	1633	1562	0.24
5	A₁	1149	1099	0.58
6	A₁	983	940	14.37
7	A₁	481	460	2.52
8	A₂	378	362	0.00
9	A₂	333i	318i	0.00
10	B₁	782	748	3.07
11	B₁	579	554	10.51
12	B₁	195i	186i	426.93
13	B₂	3812	3646	43.92
14	B₂	3665	3505	96.11
15	B₂	1632	1561	281.40
16	B₂	1437	1374	213.79
17	B₂	995	951	14.59
18	B₂	567	542	12.99

Atom	y (Å)	z (Å)
C1	0.000	0.140
O2	0.000	1.357
N3	1.150	-0.595
N4	-1.150	-0.595
H5	2.012	-0.090
H6	1.167	-1.593
H7	-2.012	-0.090
H8	-1.167	-1.593

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2168	1.3649	1.3649	2.0252	2.0898	2.0252	2.0898
O2	1.2168		2.2656	2.2656	2.4783	3.1728	2.4783	3.1728
N3	1.3649	2.2656		2.2999	0.9993	0.9983	3.2022	2.5231
N4	1.3649	2.2656	2.2999		3.2022	2.5231	0.9993	0.9983
H5	2.0252	2.4783	0.9993	3.2022		1.7246	4.0243	3.5169
H6	2.0898	3.1728	0.9983	2.5231	1.7246		3.5169	2.3345
H7	2.0252	2.4783	3.2022	0.9993	4.0243	3.5169		1.7246
H8	2.0898	3.1728	2.5231	0.9983	3.5169	2.3345	1.7246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.036	C1	N3	H6	123.590
C1	N4	H7	117.036	C1	N4	H8	123.590
O2	C1	N3	122.594	O2	C1	N4	122.594
N3	C1	N4	114.811	H5	N3	H6	119.375
H7	N4	H8	119.375

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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: MP2=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)