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	hartrees
Energy at 0K	-303.880838
Energy at 298.15K	-303.891326
HF Energy	-303.880838
Nuclear repulsion energy	244.752308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3579	33.97
2	A	3666	3507	30.36
3	A	3624	3466	23.07
4	A	3144	3008	23.61
5	A	3129	2993	32.28
6	A	3053	2921	20.01
7	A	3047	2914	30.92
8	A	3017	2885	43.78
9	A	1840	1760	538.45
10	A	1637	1565	182.74
11	A	1550	1482	4.38
12	A	1521	1455	3.49
13	A	1502	1436	9.09
14	A	1482	1418	44.25
15	A	1458	1395	236.79
16	A	1429	1367	30.88
17	A	1378	1318	14.76
18	A	1322	1264	2.46
19	A	1223	1170	19.29
20	A	1182	1130	1.44
21	A	1136	1087	21.29
22	A	1080	1033	15.54
23	A	1010	966	2.18
24	A	916	876	2.88
25	A	851	814	0.61
26	A	792	758	50.75
27	A	598	572	42.26
28	A	567	542	11.46
29	A	528	505	132.25
30	A	476	456	25.48
31	A	370	354	0.03
32	A	360	344	139.90
33	A	294	282	2.56
34	A	203	194	3.27
35	A	119	114	7.34
36	A	71	68	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	-2.616	-0.212	0.005
H2	-2.687	-1.025	0.733
H3	-3.428	0.489	0.207
H4	-2.760	-0.629	-0.995
C5	-1.269	0.486	0.108
H6	-1.248	1.315	-0.609
H7	-1.141	0.920	1.108
N8	-0.195	-0.446	-0.199
H9	-0.392	-1.423	-0.048
N10	1.473	1.167	0.045
H11	2.465	1.322	-0.048
H12	0.901	1.821	-0.465
C13	1.143	-0.175	-0.021
O14	1.975	-1.054	0.080

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0936	1.0916	1.0925	1.5210	2.1405	2.1623	2.4413	2.5331	4.3161	5.3078	4.0899	3.7592	4.6680
H2	1.0936		1.7660	1.7736	2.1649	3.0578	2.5133	2.7233	2.4569	4.7529	5.7152	4.7343	3.9951	4.7075
H3	1.0916	1.7660		1.7722	2.1613	2.4699	2.4961	3.3902	3.5972	4.9507	5.9569	4.5792	4.6244	5.6201
H4	1.0925	1.7736	1.7722		2.1639	2.4929	3.0726	2.6918	2.6705	4.7145	5.6567	4.4370	4.0473	4.8732
C5	1.5210	2.1649	2.1613	2.1639		1.0963	1.0971	1.4552	2.1073	2.8263	3.8294	2.6115	2.5042	3.5910
H6	2.1405	3.0578	2.4699	2.4929	1.0963		1.7650	2.0929	2.9236	2.8030	3.7551	2.2128	2.8779	4.0588
H7	2.1623	2.5133	2.4961	3.0726	1.0971	1.7650		2.1135	2.7179	2.8323	3.8073	2.7302	2.7726	3.8284
N8	2.4413	2.7233	3.3902	2.6918	1.4552	2.0929	2.1135		1.0084	2.3332	3.1970	2.5319	1.3759	2.2700
H9	2.5331	2.4569	3.5972	2.6705	2.1073	2.9236	2.7179	1.0084		3.1935	3.9620	3.5173	1.9784	2.3987
N10	4.3161	4.7529	4.9507	4.7145	2.8263	2.8030	2.8323	2.3332	3.1935		1.0078	1.0074	1.3840	2.2772
H11	5.3078	5.7152	5.9569	5.6567	3.8294	3.7551	3.8073	3.1970	3.9620	1.0078		1.6933	1.9975	2.4293
H12	4.0899	4.7343	4.5792	4.4370	2.6115	2.2128	2.7302	2.5319	3.5173	1.0074	1.6933		2.0589	3.1167
C13	3.7592	3.9951	4.6244	4.0473	2.5042	2.8779	2.7726	1.3759	1.9784	1.3840	1.9975	2.0589		1.2144
O14	4.6680	4.7075	5.6201	4.8732	3.5910	4.0588	3.8284	2.2700	2.3987	2.2772	2.4293	3.1167	1.2144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.650	C1	C5	H7	110.309
C1	C5	N8	110.205	H2	C1	H3	107.830
H2	C1	H4	108.447	H2	C1	C5	110.724
H3	C1	H4	108.472	H3	C1	C5	110.561
H4	C1	C5	110.715	C5	N8	H9	116.422
C5	N8	C13	124.362	H6	C5	H7	107.162
H6	C5	N8	109.412	H7	C5	N8	111.020
N8	C13	N10	115.421	N8	C13	O14	122.291
H9	N8	C13	111.208	N10	C13	O14	122.285
H11	N10	H12	114.332	H11	N10	C13	112.303
H12	N10	C13	117.987

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

using model chemistry: wB97X-D/6-311G**

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	-0.364
2	H	0.128
3	H	0.130
4	H	0.132
5	C	-0.103
6	H	0.114
7	H	0.135
8	N	-0.446
9	H	0.244
10	N	-0.487
11	H	0.240
12	H	0.221
13	C	0.459
14	O	-0.402

	x	y	z	Total
	-3.159	2.725	-0.579	4.212
CHELPG
AIM
ESP

	x	y	z
x	9.278	-0.144	0.133
y	-0.144	7.683	-0.065
z	0.133	-0.065	5.449

<r²>	201.444
(<r²>)^1/2	14.193

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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