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	hartrees
Energy at 0K	-300.966089
Energy at 298.15K	-300.976451
HF Energy	-300.363117
Nuclear repulsion energy	241.423498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3689	3521	22.80
2	A	3591	3428	26.11
3	A	3559	3397	24.32
4	A	3173	3028	23.13
5	A	3167	3023	22.92
6	A	3107	2966	15.62
7	A	3092	2951	11.85
8	A	3046	2907	45.20
9	A	1767	1687	292.27
10	A	1711	1633	116.58
11	A	1634	1560	6.47
12	A	1608	1535	6.15
13	A	1597	1525	6.05
14	A	1502	1434	6.00
15	A	1484	1416	1.96
16	A	1421	1356	53.29
17	A	1395	1332	305.11
18	A	1354	1292	2.15
19	A	1229	1173	5.42
20	A	1211	1156	17.13
21	A	1136	1084	49.99
22	A	1062	1014	19.87
23	A	975	931	1.77
24	A	899	858	2.76
25	A	870	830	2.07
26	A	775	740	85.06
27	A	585	558	135.68
28	A	564	538	70.89
29	A	548	524	30.45
30	A	480	458	21.96
31	A	378	361	100.86
32	A	361	345	81.35
33	A	287	274	2.52
34	A	206	197	3.30
35	A	101	96	6.07
36	A	23	22	2.15

Atom	x (Å)	y (Å)	z (Å)
C1	-2.613	-0.255	0.162
H2	-2.523	-0.905	1.038
H3	-3.439	0.444	0.323
H4	-2.844	-0.869	-0.715
C5	-1.292	0.515	-0.061
H6	-1.411	1.191	-0.920
H7	-1.062	1.126	0.820
N8	-0.187	-0.442	-0.289
H9	-0.413	-1.429	-0.358
N10	1.434	1.191	0.092
H11	2.412	1.411	0.236
H12	0.881	1.872	-0.413
C13	1.156	-0.179	-0.025
O14	2.021	-1.070	0.114

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0942	1.0945	1.0949	1.5451	2.1692	2.1787	2.4746	2.5470	4.2987	5.2952	4.1312	3.7740	4.7053
H2	1.0942		1.7802	1.7825	2.1762	3.0755	2.5109	2.7259	2.5835	4.5766	5.5102	4.6262	3.8968	4.6395
H3	1.0945	1.7802		1.7770	2.1823	2.4932	2.5223	3.4260	3.6235	4.9360	5.9317	4.6097	4.6499	5.6701
H4	1.0949	1.7825	1.7770		2.1797	2.5176	3.0840	2.7244	2.5198	4.8165	5.8080	4.6348	4.1169	4.9390
C5	1.5451	2.1762	2.1823	2.1797		1.0997	1.0964	1.4796	2.1538	2.8133	3.8231	2.5866	2.5444	3.6769
H6	2.1692	3.0755	2.4932	2.5176	1.0997		1.7754	2.1363	2.8593	3.0202	4.0007	2.4447	3.0441	4.2382
H7	2.1787	2.5109	2.5223	3.0840	1.0964	1.7754		2.1107	2.8872	2.6014	3.5348	2.4195	2.7081	3.8505
N8	2.4746	2.7259	3.4260	2.7244	1.4796	2.1363	2.1107		1.0145	2.3326	3.2355	2.5517	1.3935	2.3307
H9	2.5470	2.5835	3.6235	2.5198	2.1538	2.8593	2.8872	1.0145		3.2370	4.0499	3.5457	2.0332	2.5051
N10	4.2987	4.5766	4.9360	4.8165	2.8133	3.0202	2.6014	2.3326	3.2370		1.0129	1.0121	1.4026	2.3361
H11	5.2952	5.5102	5.9317	5.8080	3.8231	4.0007	3.5348	3.2355	4.0499	1.0129		1.7256	2.0435	2.5151
H12	4.1312	4.6262	4.6097	4.6348	2.5866	2.4447	2.4195	2.5517	3.5457	1.0121	1.7256		2.1050	3.1988
C13	3.7740	3.8968	4.6499	4.1169	2.5444	3.0441	2.7081	1.3935	2.0332	1.4026	2.0435	2.1050		1.2501
O14	4.7053	4.6395	5.6701	4.9390	3.6769	4.2382	3.8505	2.3307	2.5051	2.3361	2.5151	3.1988	1.2501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.047	C1	C5	H7	109.979
C1	C5	N8	109.777	H2	C1	H3	108.849
H2	C1	H4	109.030	H2	C1	C5	109.905
H3	C1	H4	108.512	H3	C1	C5	110.368
H4	C1	C5	110.140	C5	N8	H9	118.234
C5	N8	C13	124.616	H6	C5	H7	107.890
H6	C5	N8	110.983	H7	C5	N8	109.139
N8	C13	N10	113.068	N8	C13	O14	123.588
H9	N8	C13	114.285	N10	C13	O14	123.336
H11	N10	H12	116.895	H11	N10	C13	114.596
H12	N10	C13	120.463

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

using model chemistry: MP2/3-21G

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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Number	Element	Mulliken	ESP
1	C	-0.555	-0.407
2	H	0.197	0.120
3	H	0.194	0.094
4	H	0.192	0.111
5	C	-0.178	0.451
6	H	0.181	-0.040
7	H	0.206	-0.023
8	N	-0.727	-0.802
9	H	0.323	0.358
10	N	-0.784	-0.971
11	H	0.318	0.398
12	H	0.310	0.391
13	C	0.840	0.889
14	O	-0.515	-0.567

	x	y	z	Total
	-2.802	2.534	-0.671	3.837
CHELPG
AIM
ESP	-2.801	2.526	-0.672	3.831

	x	y	z
x	8.110	-0.362	0.544
y	-0.362	6.761	-0.061
z	0.544	-0.061	4.082

<r²>	205.002
(<r²>)^1/2	14.318

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

using model chemistry: MP2/3-21G

States and conformations

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