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	hartrees
Energy at 0K	-303.023743
Energy at 298.15K
HF Energy	-302.074333
Nuclear repulsion energy	243.870348

Atom	x (Å)	y (Å)	z (Å)
C1	-2.613	-0.227	0.005
H2	-2.676	-1.029	0.741
H3	-3.426	0.472	0.197
H4	-2.750	-0.652	-0.989
C5	-1.274	0.487	0.102
H6	-1.255	1.302	-0.626
H7	-1.154	0.929	1.096
N8	-0.196	-0.450	-0.184
H9	-0.395	-1.432	-0.055
N10	1.449	1.181	0.041
H11	2.436	1.369	-0.047
H12	0.846	1.843	-0.421
C13	1.149	-0.175	-0.027
O14	2.004	-1.054	0.078

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0905	1.0891	1.0897	1.5199	2.1403	2.1571	2.4347	2.5256	4.2992	5.2956	4.0532	3.7622	4.6915
H2	1.0905		1.7638	1.7718	2.1615	3.0538	2.5055	2.7100	2.4499	4.7322	5.7019	4.6910	3.9939	4.7276
H3	1.0891	1.7638		1.7684	2.1540	2.4663	2.4859	3.3808	3.5889	4.9292	5.9358	4.5291	4.6259	5.6423
H4	1.0897	1.7718	1.7684		2.1590	2.4865	3.0643	2.6849	2.6510	4.6954	5.6448	4.4127	4.0435	4.8886
C5	1.5199	2.1615	2.1540	2.1590		1.0936	1.0946	1.4565	2.1168	2.8113	3.8170	2.5706	2.5151	3.6229
H6	2.1403	3.0538	2.4663	2.4865	1.0936		1.7654	2.0943	2.9230	2.7880	3.7370	2.1789	2.8842	4.0831
H7	2.1571	2.5055	2.4859	3.0643	1.0946	1.7654		2.1111	2.7340	2.8202	3.7934	2.6714	2.7894	3.8659
N8	2.4347	2.7100	3.3808	2.6849	1.4565	2.0943	2.1111		1.0107	2.3269	3.2024	2.5293	1.3815	2.2968
H9	2.5256	2.4499	3.5889	2.6510	2.1168	2.9230	2.7340	1.0107		3.1991	3.9826	3.5213	1.9909	2.4320
N10	4.2992	4.7322	4.9292	4.6954	2.8113	2.7880	2.8202	2.3269	3.1991		1.0086	1.0083	1.3896	2.3029
H11	5.2956	5.7019	5.9358	5.6448	3.8170	3.7370	3.7934	3.2024	3.9826	1.0086		1.7011	2.0103	2.4649
H12	4.0532	4.6910	4.5291	4.4127	2.5706	2.1789	2.6714	2.5293	3.5213	1.0083	1.7011		2.0780	3.1599
C13	3.7622	3.9939	4.6259	4.0435	2.5151	2.8842	2.7894	1.3815	1.9909	1.3896	2.0103	2.0780		1.2316
O14	4.6915	4.7276	5.6423	4.8886	3.6229	4.0831	3.8659	2.2968	2.4320	2.3029	2.4649	3.1599	1.2316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.865	C1	C5	H7	110.125
C1	C5	N8	109.752	H2	C1	H3	108.040
H2	C1	H4	108.716	H2	C1	C5	110.717
H3	C1	H4	108.510	H3	C1	C5	110.211
H4	C1	C5	110.573	C5	N8	H9	117.018
C5	N8	C13	124.774	H6	C5	H7	107.564
H6	C5	N8	109.597	H7	C5	N8	110.887
N8	C13	N10	114.214	N8	C13	O14	122.934
H9	N8	C13	111.721	N10	C13	O14	122.830
H11	N10	H12	115.009	H11	N10	C13	112.950
H12	N10	C13	119.278

All results from a given calculation for NH₂CONHC₂H₅ (Urea, ethyl-)

using model chemistry: MP2/6-31+G**

States and conformations

	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 NH2CONHC2H5 (Urea, ethyl-)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for NH₂CONHC₂H₅ (Urea, ethyl-)