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	hartrees
Energy at 0K	-224.744473
Energy at 298.15K
HF Energy	-224.036905
Nuclear repulsion energy	123.557935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3787	3646
2	A₁	3657	3521
3	A₁	1823	1755
4	A₁	1686	1623
5	A₁	1168	1125
6	A₁	976	940
7	A₁	483	465
8	A₂	344	331
9	A₂	562i	541i
10	B₁	765	737
11	B₁	563	543
12	B₁	471i	453i
13	B₂	3784	3643
14	B₂	3648	3513
15	B₂	1679	1617
16	B₂	1450	1396
17	B₂	1010	972
18	B₂	562	541

Atom	y (Å)	z (Å)
C1	0.000	0.145
O2	0.000	1.366
N3	1.160	-0.600
N4	-1.160	-0.600
H5	2.027	-0.094
H6	1.183	-1.604
H7	-2.027	-0.094
H8	-1.183	-1.604

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2209	1.3789	1.3789	2.0406	2.1122	2.0406	2.1122
O2	1.2209		2.2832	2.2832	2.4976	3.1976	2.4976	3.1976
N3	1.3789	2.2832		2.3195	1.0041	1.0041	3.2264	2.5491
N4	1.3789	2.2832	2.3195		3.2264	2.5491	1.0041	1.0041
H5	2.0406	2.4976	1.0041	3.2264		1.7300	4.0532	3.5477
H6	2.1122	3.1976	1.0041	2.5491	1.7300		3.5477	2.3668
H7	2.0406	2.4976	3.2264	1.0041	4.0532	3.5477		1.7300
H8	2.1122	3.1976	2.5491	1.0041	3.5477	2.3668	1.7300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.942	C1	N3	H6	124.091
C1	N4	H7	116.942	C1	N4	H8	124.091
O2	C1	N3	122.743	O2	C1	N4	122.743
N3	C1	N4	114.513	H5	N3	H6	118.967
H7	N4	H8	118.967

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: QCISD(T)/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: QCISD(T)/6-311G*

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)