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	hartrees
Energy at 0K	-224.695152
Energy at 298.15K
HF Energy	-224.005498
Nuclear repulsion energy	123.203470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3788	3788
2	A₁	3645	3645
3	A₁	1839	1839
4	A₁	1612	1612
5	A₁	1143	1143
6	A₁	982	982
7	A₁	476	476
8	A₂	365	365
9	A₂	526i	526i
10	B₁	770	770
11	B₁	567	567
12	B₁	453i	453i
13	B₂	3786	3786
14	B₂	3638	3638
15	B₂	1620	1620
16	B₂	1439	1439
17	B₂	991	991
18	B₂	561	561

Atom	y (Å)	z (Å)
C1	0.000	0.148
O2	0.000	1.372
N3	1.160	-0.603
N4	-1.160	-0.603
H5	2.035	-0.096
H6	1.172	-1.614
H7	-2.035	-0.096
H8	-1.172	-1.614

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2238	1.3821	1.3821	2.0494	2.1165	2.0494	2.1165
O2	1.2238		2.2908	2.2908	2.5092	3.2079	2.5092	3.2079
N3	1.3821	2.2908		2.3194	1.0114	1.0106	3.2344	2.5414
N4	1.3821	2.2908	2.3194		3.2344	2.5414	1.0114	1.0106
H5	2.0494	2.5092	1.0114	3.2344		1.7458	4.0695	3.5479
H6	2.1165	3.2079	1.0106	2.5414	1.7458		3.5479	2.3442
H7	2.0494	2.5092	3.2344	1.0114	4.0695	3.5479		1.7458
H8	2.1165	3.2079	2.5414	1.0106	3.5479	2.3442	1.7458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.948	C1	N3	H6	123.657
C1	N4	H7	116.948	C1	N4	H8	123.657
O2	C1	N3	122.954	O2	C1	N4	122.954
N3	C1	N4	114.092	H5	N3	H6	119.394
H7	N4	H8	119.394

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: QCISD(TQ)/cc-pVDZ

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(TQ)/cc-pVDZ

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)