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	hartrees
Energy at 0K	-56.679802
Energy at 298.15K	-56.689940
HF Energy	-56.074066
Nuclear repulsion energy	134.025110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3634	25.81
2	A	3596	3510	25.95
3	A	3567	3481	27.49
4	A	3087	3013	38.47
5	A	3085	3011	46.08
6	A	3014	2941	32.28
7	A	2977	2905	24.15
8	A	2957	2886	53.85
9	A	1713	1672	245.49
10	A	1654	1614	381.70
11	A	1562	1525	5.28
12	A	1527	1490	11.84
13	A	1519	1483	8.01
14	A	1486	1450	20.96
15	A	1454	1419	2.96
16	A	1415	1381	356.00
17	A	1393	1360	35.76
18	A	1293	1262	0.37
19	A	1194	1166	6.81
20	A	1191	1163	10.50
21	A	1128	1101	32.71
22	A	1062	1037	18.10
23	A	977	953	2.84
24	A	880	859	3.02
25	A	839	819	0.87
26	A	691	675	40.16
27	A	558	545	48.94
28	A	520	507	32.98
29	A	510	498	129.77
30	A	436	425	6.35
31	A	358	350	14.33
32	A	330	322	242.85
33	A	253	247	2.07
34	A	197	192	5.54
35	A	81	79	3.79
36	A	57	55	2.75

Atom	x (Å)	y (Å)	z (Å)
C1	-2.644	-0.223	0.057
H2	-2.685	-0.892	0.932
H3	-3.466	0.507	0.140
H4	-2.802	-0.818	-0.858
C5	-1.277	0.517	-0.002
H6	-1.271	1.207	-0.868
H7	-1.130	1.114	0.917
N8	-0.177	-0.478	-0.136
H9	-0.406	-1.469	-0.136
N10	1.531	1.168	0.053
H11	2.523	1.375	0.072
H12	0.895	1.898	-0.245
C13	1.194	-0.202	-0.016
O14	2.080	-1.124	0.051

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.1025	1.1018	1.1026	1.5559	2.1881	2.1959	2.4880	2.5691	4.4011	5.4091	4.1371	3.8386	4.8096
H2	1.1025		1.7872	1.7954	2.2001	3.1060	2.5382	2.7569	2.5821	4.7740	5.7447	4.6886	4.0518	4.8512
H3	1.1018	1.7872		1.7865	2.1933	2.5151	2.5359	3.4440	3.6527	5.0412	6.0521	4.5935	4.7154	5.7813
H4	1.1026	1.7954	1.7865		2.2004	2.5393	3.1115	2.7438	2.5858	4.8530	5.8338	4.6282	4.1295	4.9754
C5	1.5559	2.2001	2.1933	2.2004		1.1072	1.1057	1.4894	2.1728	2.8832	3.8967	2.5851	2.5731	3.7372
H6	2.1881	3.1060	2.5151	2.5393	1.1072		1.7931	2.1380	2.9058	2.9494	3.9122	2.3568	2.9633	4.1838
H7	2.1959	2.5382	2.5359	3.1115	1.1057	1.7931		2.1330	2.8815	2.7980	3.7585	2.4626	2.8282	4.0075
N8	2.4880	2.7569	3.4440	2.7438	1.4894	2.1380	2.1330		1.0169	2.3796	3.2813	2.6085	1.4031	2.3551
H9	2.5691	2.5821	3.6527	2.5858	2.1728	2.9058	2.8815	1.0169		3.2773	4.0875	3.6106	2.0439	2.5167
N10	4.4011	4.7740	5.0412	4.8530	2.8832	2.9494	2.7980	2.3796	3.2773		1.0137	1.0127	1.4125	2.3569
H11	5.4091	5.7447	6.0521	5.8338	3.8967	3.9122	3.7585	3.2813	4.0875	1.0137		1.7394	2.0642	2.5376
H12	4.1371	4.6886	4.5935	4.6282	2.5851	2.3568	2.4626	2.6085	3.6106	1.0127	1.7394		2.1326	3.2590
C13	3.8386	4.0518	4.7154	4.1295	2.5731	2.9633	2.8282	1.4031	2.0439	1.4125	2.0642	2.1326		1.2811
O14	4.8096	4.8512	5.7813	4.9754	3.7372	4.1838	4.0075	2.3551	2.5167	2.3569	2.5376	3.2590	1.2811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.340	C1	C5	H7	110.031
C1	C5	N8	109.548	H2	C1	H3	108.337
H2	C1	H4	109.012	H2	C1	C5	110.540
H3	C1	H4	108.274	H3	C1	C5	110.053
H4	C1	C5	110.560	C5	N8	H9	119.002
C5	N8	C13	125.611	H6	C5	H7	108.251
H6	C5	N8	109.983	H7	C5	N8	109.669
N8	C13	N10	115.375	N8	C13	O14	122.595
H9	N8	C13	114.307	N10	C13	O14	122.017
H11	N10	H12	118.273	H11	N10	C13	115.618
H12	N10	C13	122.271

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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