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	hartrees
Energy at 0K	-303.765546
Energy at 298.15K	-303.775927
Nuclear repulsion energy	244.801725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3744	3575	33.43
2	A	3670	3504	32.06
3	A	3616	3452	20.70
4	A	3165	3022	18.99
5	A	3150	3008	26.03
6	A	3070	2931	17.79
7	A	3052	2914	31.67
8	A	3014	2878	44.77
9	A	1847	1764	467.50
10	A	1636	1562	176.33
11	A	1539	1469	2.76
12	A	1512	1444	3.42
13	A	1500	1432	7.21
14	A	1465	1399	220.32
15	A	1454	1389	56.98
16	A	1419	1355	16.10
17	A	1357	1295	17.77
18	A	1301	1242	0.90
19	A	1216	1161	20.77
20	A	1170	1117	1.37
21	A	1134	1083	18.49
22	A	1077	1028	14.03
23	A	1007	961	1.76
24	A	907	866	2.27
25	A	822	785	0.64
26	A	777	742	63.75
27	A	596	569	55.02
28	A	560	534	73.39
29	A	548	523	74.01
30	A	490	467	31.65
31	A	389	372	119.98
32	A	360	344	0.42
33	A	270	258	3.25
34	A	195	187	2.81
35	A	112	107	7.03
36	A	52	49	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.605	-0.226	0.047
H2	-2.646	-0.969	0.847
H3	-3.421	0.481	0.205
H4	-2.775	-0.734	-0.905
C5	-1.269	0.493	0.044
H6	-1.280	1.258	-0.744
H7	-1.119	1.018	0.996
N8	-0.192	-0.446	-0.198
H9	-0.394	-1.428	-0.089
N10	1.453	1.170	0.068
H11	2.443	1.339	-0.013
H12	0.870	1.835	-0.414
C13	1.143	-0.174	-0.021
O14	1.985	-1.053	0.076

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0932	1.0910	1.0925	1.5174	2.1409	2.1579	2.4360	2.5205	4.2917	5.2854	4.0660	3.7491	4.6641
H2	1.0932		1.7656	1.7721	2.1633	3.0594	2.5110	2.7184	2.4814	4.6890	5.6538	4.6705	3.9675	4.6955
H3	1.0910	1.7656		1.7684	2.1586	2.4679	2.4924	3.3841	3.5908	4.9246	5.9303	4.5415	4.6164	5.6209
H4	1.0925	1.7721	1.7684		2.1624	2.4963	3.0705	2.6940	2.6108	4.7384	5.6854	4.4864	4.0555	4.8705
C5	1.5174	2.1633	2.1586	2.1624		1.0987	1.0978	1.4490	2.1141	2.8049	3.8071	2.5657	2.5028	3.6018
H6	2.1409	3.0594	2.4679	2.4963	1.0987		1.7641	2.0942	2.9026	2.8524	3.7945	2.2497	2.9057	4.0825
H7	2.1579	2.5110	2.4924	3.0705	1.0978	1.7641		2.1052	2.7724	2.7390	3.7162	2.5711	2.7522	3.8435
N8	2.4360	2.7184	3.3841	2.6940	1.4490	2.0942	2.1052		1.0079	2.3211	3.1878	2.5250	1.3734	2.2759
H9	2.5205	2.4814	3.5908	2.6108	2.1141	2.9026	2.7724	1.0079		3.1910	3.9634	3.5136	1.9843	2.4139
N10	4.2917	4.6890	4.9246	4.7384	2.8049	2.8524	2.7390	2.3211	3.1910		1.0072	1.0077	1.3822	2.2849
H11	5.2854	5.6538	5.9303	5.6854	3.8071	3.7945	3.7162	3.1878	3.9634	1.0072		1.6974	1.9951	2.4367
H12	4.0660	4.6705	4.5415	4.4864	2.5657	2.2497	2.5711	2.5250	3.5136	1.0077	1.6974		2.0654	3.1337
C13	3.7491	3.9675	4.6164	4.0555	2.5028	2.9057	2.7522	1.3734	1.9843	1.3822	1.9951	2.0654		1.2204
O14	4.6641	4.6955	5.6209	4.8705	3.6018	4.0825	3.8435	2.2759	2.4139	2.2849	2.4367	3.1337	1.2204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.792	C1	C5	H7	110.169
C1	C5	N8	110.388	H2	C1	H3	107.866
H2	C1	H4	108.344	H2	C1	C5	110.875
H3	C1	H4	108.169	H3	C1	C5	110.630
H4	C1	C5	110.848	C5	N8	H9	117.612
C5	N8	C13	124.916	H6	C5	H7	106.859
H6	C5	N8	109.807	H7	C5	N8	110.742
N8	C13	N10	114.770	N8	C13	O14	122.556
H9	N8	C13	111.955	N10	C13	O14	122.661
H11	N10	H12	114.794	H11	N10	C13	112.279
H12	N10	C13	118.753

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

using model chemistry: B1B95/6-31G**

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	-0.400
2	H	0.136
3	H	0.137
4	H	0.140
5	C	-0.068
6	H	0.119
7	H	0.138
8	N	-0.559
9	H	0.284
10	N	-0.647
11	H	0.290
12	H	0.270
13	C	0.688
14	O	-0.529

	x	y	z	Total
	-3.067	2.584	-0.644	4.062
CHELPG
AIM
ESP

	x	y	z
x	9.012	-0.171	0.191
y	-0.171	7.437	-0.105
z	0.191	-0.105	4.927

<r²>	200.700
(<r²>)^1/2	14.167

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

using model chemistry: B1B95/6-31G**

States and conformations

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