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	hartrees
Energy at 0K	-224.658154
Energy at 298.15K
HF Energy	-223.979142
Nuclear repulsion energy	123.346589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3761	3761
2	A₁	3633	3633
3	A₁	1837	1837
4	A₁	1656	1656
5	A₁	1162	1162
6	A₁	986	986
7	A₁	480	480
8	A₂	367	367
9	A₂	509i	509i
10	B₁	757	757
11	B₁	574	574
12	B₁	408i	408i
13	B₂	3759	3759
14	B₂	3625	3625
15	B₂	1654	1654
16	B₂	1462	1462
17	B₂	1007	1007
18	B₂	557	557

Atom	y (Å)	z (Å)
C1	0.000	0.143
O2	0.000	1.371
N3	1.158	-0.601
N4	-1.158	-0.601
H5	2.030	-0.092
H6	1.183	-1.610
H7	-2.030	-0.092
H8	-1.183	-1.610

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2282	1.3769	1.3769	2.0431	2.1148	2.0431	2.1148
O2	1.2282		2.2875	2.2875	2.5020	3.2075	2.5020	3.2075
N3	1.3769	2.2875		2.3166	1.0092	1.0092	3.2283	2.5491
N4	1.3769	2.2875	2.3166		3.2283	2.5491	1.0092	1.0092
H5	2.0431	2.5020	1.0092	3.2283		1.7385	4.0591	3.5530
H6	2.1148	3.2075	1.0092	2.5491	1.7385		3.5530	2.3653
H7	2.0431	2.5020	3.2283	1.0092	4.0591	3.5530		1.7385
H8	2.1148	3.2075	2.5491	1.0092	3.5530	2.3653	1.7385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.963	C1	N3	H6	124.107
C1	N4	H7	116.963	C1	N4	H8	124.107
O2	C1	N3	122.725	O2	C1	N4	122.725
N3	C1	N4	114.551	H5	N3	H6	118.930
H7	N4	H8	118.930

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/6-31G*

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)