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	hartrees
Energy at 0K	-56.218519
Energy at 298.15K	-56.229314
Nuclear repulsion energy	137.410362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3919	3540	28.58
2	A	3843	3472	27.54
3	A	3804	3436	28.48
4	A	3270	2954	58.96
5	A	3259	2944	80.79
6	A	3222	2911	26.74
7	A	3193	2884	32.89
8	A	3185	2878	51.41
9	A	1921	1735	690.96
10	A	1800	1626	179.05
11	A	1667	1506	4.16
12	A	1634	1476	2.19
13	A	1625	1468	4.29
14	A	1612	1457	19.90
15	A	1554	1404	2.99
16	A	1534	1385	312.49
17	A	1487	1344	51.05
18	A	1414	1277	6.77
19	A	1290	1166	14.78
20	A	1259	1137	4.54
21	A	1229	1110	66.04
22	A	1146	1035	14.61
23	A	1046	945	3.90
24	A	957	865	2.77
25	A	879	794	23.17
26	A	862	779	81.56
27	A	664	600	54.53
28	A	630	569	154.14
29	A	598	540	63.46
30	A	532	481	64.60
31	A	431	389	88.59
32	A	381	344	0.46
33	A	285	257	2.39
34	A	211	191	2.64
35	A	117	106	9.26
36	A	65	59	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	-2.599	-0.188	-0.011
H2	-2.689	-1.029	0.672
H3	-3.395	0.514	0.218
H4	-2.744	-0.552	-1.024
C5	-1.237	0.494	0.134
H6	-1.198	1.347	-0.540
H7	-1.114	0.873	1.146
N8	-0.172	-0.448	-0.210
H9	-0.378	-1.415	-0.073
N10	1.536	1.128	0.052
H11	2.521	1.253	-0.045
H12	0.990	1.792	-0.453
C13	1.169	-0.205	-0.024
O14	1.976	-1.098	0.083

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0877	1.0860	1.0863	1.5302	2.1441	2.1613	2.4496	2.5381	4.3397	5.3195	4.1233	3.7681	4.6659
H2	1.0877		1.7569	1.7634	2.1726	3.0559	2.5151	2.7304	2.4586	4.7843	5.7335	4.7716	4.0062	4.7030
H3	1.0860	1.7569		1.7619	2.1600	2.4689	2.4889	3.3915	3.5930	4.9720	5.9685	4.6173	4.6269	5.6098
H4	1.0863	1.7634	1.7619		2.1694	2.4955	3.0659	2.7003	2.6922	4.7219	5.6517	4.4460	4.0536	4.8791
C5	1.5302	2.1726	2.1600	2.1694		1.0873	1.0883	1.4634	2.1037	2.8455	3.8384	2.6440	2.5105	3.5864
H6	2.1441	3.0559	2.4689	2.4955	1.0873		1.7538	2.0939	2.9186	2.8060	3.7538	2.2352	2.8771	4.0547
H7	2.1613	2.5151	2.4889	3.0659	1.0883	1.7538		2.1152	2.6951	2.8783	3.8442	2.7985	2.7828	3.8164
N8	2.4496	2.7304	3.3915	2.7003	1.4634	2.0939	2.1152		0.9983	2.3382	3.1894	2.5356	1.3749	2.2629
H9	2.5381	2.4586	3.5930	2.6922	2.1037	2.9186	2.6951	0.9983		3.1852	3.9404	3.5080	1.9647	2.3808
N10	4.3397	4.7843	4.9720	4.7219	2.8455	2.8060	2.8783	2.3382	3.1852		0.9981	0.9971	1.3846	2.2690
H11	5.3195	5.7335	5.9685	5.6517	3.8384	3.7538	3.8442	3.1894	3.9404	0.9981		1.6741	1.9887	2.4164
H12	4.1233	4.7716	4.6173	4.4460	2.6440	2.2352	2.7985	2.5356	3.5080	0.9971	1.6741		2.0508	3.1004
C13	3.7681	4.0062	4.6269	4.0536	2.5105	2.8771	2.7828	1.3749	1.9647	1.3846	1.9887	2.0508		1.2084
O14	4.6659	4.7030	5.6098	4.8791	3.5864	4.0547	3.8164	2.2629	2.3808	2.2690	2.4164	3.1004	1.2084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.821	C1	C5	H7	110.117
C1	C5	N8	109.804	H2	C1	H3	107.852
H2	C1	H4	108.414	H2	C1	C5	111.051
H3	C1	H4	108.403	H3	C1	C5	110.147
H4	C1	C5	110.875	C5	N8	H9	116.146
C5	N8	C13	124.348	H6	C5	H7	107.443
H6	C5	N8	109.469	H7	C5	N8	111.127
N8	C13	N10	115.848	N8	C13	O14	122.188
H9	N8	C13	110.763	N10	C13	O14	121.958
H11	N10	H12	114.078	H11	N10	C13	112.143
H12	N10	C13	117.963

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	-0.538
2	H	0.165
3	H	0.178
4	H	0.175
5	C	-0.132
6	H	0.136
7	H	0.171
8	N	-0.458
9	H	0.372
10	N	-0.704
11	H	0.380
12	H	0.362
13	C	0.361
14	O	-0.470

	x	y	z	Total
	-3.264	2.992	-0.632	4.473
CHELPG
AIM
ESP

	x	y	z
x	8.445	-0.285	0.102
y	-0.285	7.221	-0.056
z	0.102	-0.056	5.499

<r²>	164.581
(<r²>)^1/2	12.829

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-)