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	hartrees
Energy at 0K	-56.081465
Energy at 298.15K	-56.092293
Nuclear repulsion energy	136.440557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3995	3645	42.29
2	A	3862	3524	33.57
3	A	3837	3501	46.00
4	A	3251	2967	54.83
5	A	3245	2961	70.80
6	A	3186	2907	39.78
7	A	3155	2879	21.86
8	A	3144	2869	67.84
9	A	1828	1668	418.75
10	A	1778	1623	416.22
11	A	1681	1534	5.75
12	A	1642	1498	16.95
13	A	1634	1491	8.07
14	A	1605	1465	43.06
15	A	1561	1424	6.89
16	A	1557	1421	406.45
17	A	1500	1369	35.80
18	A	1418	1294	0.13
19	A	1295	1181	16.45
20	A	1283	1171	4.17
21	A	1211	1105	37.52
22	A	1157	1055	13.70
23	A	1062	969	0.92
24	A	959	875	3.01
25	A	907	828	0.29
26	A	837	764	150.55
27	A	606	553	10.01
28	A	598	546	217.81
29	A	569	519	25.59
30	A	560	511	0.29
31	A	445	406	225.03
32	A	384	350	0.11
33	A	276	252	0.07
34	A	212	193	7.65
35	A	119	109	1.32
36	A	76	69	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	-2.617	-0.210	-0.000
H2	-2.722	-0.836	0.881
H3	-3.428	0.511	0.000
H4	-2.722	-0.835	-0.882
C5	-1.263	0.513	0.000
H6	-1.194	1.151	-0.878
H7	-1.195	1.150	0.880
N8	-0.171	-0.465	-0.000
H9	-0.390	-1.436	0.000
N10	1.549	1.128	-0.000
H11	2.523	1.316	0.000
H12	0.909	1.883	-0.000
C13	1.174	-0.194	-0.000
O14	2.025	-1.108	0.000

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0862	1.0851	1.0862	1.5351	2.1560	2.1561	2.4594	2.5423	4.3757	5.3620	4.1007	3.7905	4.7282
H2	1.0862		1.7578	1.7636	2.1737	3.0627	2.5059	2.7243	2.5642	4.7829	5.7375	4.6215	4.0451	4.8357
H3	1.0851	1.7578		1.7578	2.1648	2.4838	2.4838	3.4002	3.6084	5.0149	6.0052	4.5488	4.6551	5.6883
H4	1.0862	1.7636	1.7578		2.1737	2.5058	3.0627	2.7243	2.5648	4.7824	5.7371	4.6207	4.0449	4.8358
C5	1.5351	2.1737	2.1648	2.1737		1.0883	1.0883	1.4664	2.1355	2.8785	3.8704	2.5682	2.5371	3.6661
H6	2.1560	3.0627	2.4838	2.5058	1.0883		1.7583	2.1056	2.8483	2.8808	3.8238	2.3942	2.8619	4.0305
H7	2.1561	2.5059	2.4838	3.0627	1.0883	1.7583		2.1057	2.8479	2.8816	3.8243	2.3954	2.8621	4.0304
N8	2.4594	2.7243	3.4002	2.7243	1.4664	2.1056	2.1057		0.9945	2.3446	3.2297	2.5852	1.3714	2.2881
H9	2.5423	2.5642	3.6084	2.5648	2.1355	2.8483	2.8479	0.9945		3.2141	4.0068	3.5640	1.9959	2.4367
N10	4.3757	4.7829	5.0149	4.7824	2.8785	2.8808	2.8816	2.3446	3.2141		0.9922	0.9900	1.3747	2.2865
H11	5.3620	5.7375	6.0052	5.7371	3.8704	3.8238	3.8243	3.2297	4.0068	0.9922		1.7111	2.0254	2.4747
H12	4.1007	4.6215	4.5488	4.6207	2.5682	2.3942	2.3954	2.5852	3.5640	0.9900	1.7111		2.0945	3.1931
C13	3.7905	4.0451	4.6551	4.0449	2.5371	2.8619	2.8621	1.3714	1.9959	1.3747	2.0254	2.0945		1.2492
O14	4.7282	4.8357	5.6883	4.8358	3.6661	4.0305	4.0304	2.2881	2.4367	2.2865	2.4747	3.1931	1.2492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.361	C1	C5	H7	109.364
C1	C5	N8	110.029	H2	C1	H3	108.100
H2	C1	H4	108.539	H2	C1	C5	110.885
H3	C1	H4	108.102	H3	C1	C5	110.239
H4	C1	C5	110.881	C5	N8	H9	119.159
C5	N8	C13	126.740	H6	C5	H7	107.764
H6	C5	N8	110.140	H7	C5	N8	110.143
N8	C13	N10	117.253	N8	C13	O14	121.577
H9	N8	C13	114.101	N10	C13	O14	121.170
H11	N10	H12	119.366	H11	N10	C13	116.759
H12	N10	C13	123.874

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.516
2	H	0.162
3	H	0.160
4	H	0.162
5	C	-0.082
6	H	0.145
7	H	0.145
8	N	-0.470
9	H	0.367
10	N	-0.665
11	H	0.367
12	H	0.353
13	C	0.269
14	O	-0.396

	x	y	z	Total
	-4.213	3.869	0.001	5.720
CHELPG
AIM
ESP

	x	y	z
x	8.202	-0.409	0.000
y	-0.409	7.131	-0.000
z	0.000	-0.000	5.203

<r²>	167.846
(<r²>)^1/2	12.956

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

using model chemistry: HF/CEP-121G

States and conformations

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