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	hartrees
Energy at 0K	-302.181639
Energy at 298.15K	-302.192347
HF Energy	-302.181639
Nuclear repulsion energy	246.569495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3945	3576	47.56
2	A	3864	3502	40.25
3	A	3825	3467	41.92
4	A	3238	2935	39.89
5	A	3228	2926	51.84
6	A	3171	2875	28.94
7	A	3166	2869	19.99
8	A	3150	2855	49.62
9	A	1920	1740	703.66
10	A	1775	1609	175.57
11	A	1658	1503	3.82
12	A	1625	1473	4.43
13	A	1611	1460	7.08
14	A	1606	1456	20.81
15	A	1546	1402	166.56
16	A	1542	1397	160.07
17	A	1491	1351	37.50
18	A	1415	1283	3.33
19	A	1297	1176	18.44
20	A	1267	1148	2.32
21	A	1217	1103	44.86
22	A	1150	1042	13.55
23	A	1055	956	3.52
24	A	964	874	3.18
25	A	888	805	6.65
26	A	871	789	55.34
27	A	637	577	39.60
28	A	602	545	14.28
29	A	554	502	109.53
30	A	506	458	17.91
31	A	399	362	176.38
32	A	387	351	8.47
33	A	289	262	1.67
34	A	215	194	4.23
35	A	106	96	5.29
36	A	66	60	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	-2.609	-0.204	-0.004
H2	-2.684	-1.025	0.700
H3	-3.412	0.489	0.208
H4	-2.751	-0.597	-1.003
C5	-1.265	0.494	0.117
H6	-1.241	1.325	-0.577
H7	-1.147	0.904	1.114
N8	-0.193	-0.432	-0.195
H9	-0.390	-1.394	-0.050
N10	1.503	1.142	0.041
H11	2.482	1.265	-0.062
H12	0.956	1.794	-0.466
C13	1.131	-0.174	-0.017
O14	1.935	-1.053	0.079

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0839	1.0820	1.0827	1.5184	2.1304	2.1477	2.4338	2.5182	4.3261	5.2987	4.1124	3.7395	4.6228
H2	1.0839		1.7503	1.7568	2.1585	3.0397	2.5009	2.7125	2.4422	4.7603	5.7024	4.7495	3.9741	4.6607
H3	1.0820	1.7503		1.7552	2.1489	2.4560	2.4749	3.3726	3.5703	4.9610	5.9515	4.6089	4.5968	5.5665
H4	1.0827	1.7568	1.7552		2.1562	2.4810	3.0503	2.6874	2.6678	4.7122	5.6334	4.4434	4.0271	4.8306
C5	1.5184	2.1585	2.1489	2.1562		1.0840	1.0846	1.4507	2.0874	2.8439	3.8302	2.6393	2.4911	3.5546
H6	2.1304	3.0397	2.4560	2.4810	1.0840		1.7459	2.0818	2.8976	2.8183	3.7589	2.2492	2.8613	4.0216
H7	2.1477	2.5009	2.4749	3.0503	1.0846	1.7459		2.0997	2.6850	2.8688	3.8322	2.7774	2.7624	3.7947
N8	2.4338	2.7125	3.3726	2.6874	1.4507	2.0818	2.0997		0.9919	2.3258	3.1712	2.5198	1.3605	2.2334
H9	2.5182	2.4422	3.5703	2.6678	2.0874	2.8976	2.6850	0.9919		3.1653	3.9139	3.4847	1.9496	2.3529
N10	4.3261	4.7603	4.9610	4.7122	2.8439	2.8183	2.8688	2.3258	3.1653		0.9925	0.9900	1.3688	2.2376
H11	5.2987	5.7024	5.9515	5.6334	3.8302	3.7589	3.8322	3.1712	3.9139	0.9925		1.6643	1.9748	2.3865
H12	4.1124	4.7495	4.6089	4.4434	2.6393	2.2492	2.7774	2.5198	3.4847	0.9900	1.6643		2.0257	3.0591
C13	3.7395	3.9741	4.5968	4.0271	2.4911	2.8613	2.7624	1.3605	1.9496	1.3688	1.9748	2.0257		1.1952
O14	4.6228	4.6607	5.5665	4.8306	3.5546	4.0216	3.7947	2.2334	2.3529	2.2376	2.3865	3.0591	1.1952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.755	C1	C5	H7	110.081
C1	C5	N8	110.092	H2	C1	H3	107.823
H2	C1	H4	108.359	H2	C1	C5	110.986
H3	C1	H4	108.356	H3	C1	C5	110.334
H4	C1	C5	110.880	C5	N8	H9	116.161
C5	N8	C13	124.749	H6	C5	H7	107.244
H6	C5	N8	109.591	H7	C5	N8	111.007
N8	C13	N10	116.900	N8	C13	O14	121.695
H9	N8	C13	110.977	N10	C13	O14	121.404
H11	N10	H12	114.176	H11	N10	C13	112.534
H12	N10	C13	117.460

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

using model chemistry: HF/Def2TZVPP

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
1	C	-0.196
2	H	0.059
3	H	0.061
4	H	0.069
5	C	0.062
6	H	0.037
7	H	0.067
8	N	-0.334
9	H	0.184
10	N	-0.409
11	H	0.201
12	H	0.173
13	C	0.556
14	O	-0.530

	x	y	z	Total
	-3.443	3.034	-0.521	4.619
CHELPG
AIM
ESP

	x	y	z
x	9.132	-0.192	0.056
y	-0.192	7.670	-0.030
z	0.056	-0.030	5.882

<r²>	200.353
(<r²>)^1/2	14.155

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

using model chemistry: HF/Def2TZVPP

States and conformations

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