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	hartrees
Energy at 0K	-56.070052
Energy at 298.15K	-56.080905
Nuclear repulsion energy	136.179243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4033	3635	55.72
2	A	3899	3515	44.85
3	A	3876	3494	55.94
4	A	3306	2980	75.66
5	A	3304	2978	104.74
6	A	3248	2927	50.23
7	A	3219	2902	27.95
8	A	3208	2891	83.51
9	A	1829	1648	454.50
10	A	1778	1603	392.67
11	A	1678	1512	4.06
12	A	1639	1477	18.04
13	A	1630	1470	8.12
14	A	1605	1446	40.44
15	A	1566	1411	362.50
16	A	1565	1411	55.43
17	A	1504	1356	33.20
18	A	1422	1282	0.01
19	A	1299	1171	18.80
20	A	1285	1158	6.26
21	A	1212	1092	33.26
22	A	1162	1047	13.15
23	A	1068	963	1.09
24	A	965	870	3.19
25	A	904	815	1.13
26	A	850	766	199.20
27	A	615	554	287.03
28	A	608	548	10.88
29	A	587	529	10.12
30	A	571	515	26.15
31	A	475	428	182.60
32	A	384	346	0.11
33	A	276	249	0.13
34	A	211	191	7.88
35	A	127	114	0.98
36	A	82	74	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	2.621	-0.210	0.001
H2	2.727	-0.837	-0.885
H3	3.434	0.515	0.001
H4	2.726	-0.837	0.886
C5	1.262	0.513	-0.000
H6	1.189	1.151	0.881
H7	1.191	1.152	-0.881
N8	0.171	-0.471	-0.001
H9	0.389	-1.446	-0.001
N10	-1.545	1.132	0.000
H11	-2.523	1.322	0.000
H12	-0.902	1.889	-0.001
C13	-1.175	-0.195	-0.000
O14	-2.032	-1.107	0.001

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0899	1.0888	1.0899	1.5399	2.1631	2.1633	2.4643	2.5517	4.3771	5.3678	4.1011	3.7959	4.7388
H2	1.0899		1.7642	1.7701	2.1799	3.0719	2.5134	2.7292	2.5727	4.7865	5.7455	4.6242	4.0518	4.8481
H3	1.0888	1.7642		1.7642	2.1720	2.4931	2.4931	3.4085	3.6215	5.0167	6.0112	4.5479	4.6626	5.7011
H4	1.0899	1.7701	1.7642		2.1800	2.5132	3.0720	2.7294	2.5726	4.7856	5.7446	4.6239	4.0510	4.8468
C5	1.5399	2.1799	2.1720	2.1800		1.0909	1.0909	1.4688	2.1441	2.8741	3.8703	2.5641	2.5370	3.6702
H6	2.1631	3.0719	2.4931	2.5132	1.0909		1.7627	2.1092	2.8572	2.8730	3.8196	2.3865	2.8599	4.0314
H7	2.1633	2.5134	2.4931	3.0720	1.0909	1.7627		2.1091	2.8576	2.8744	3.8208	2.3868	2.8613	4.0331
N8	2.4643	2.7292	3.4085	2.7294	1.4688	2.1092	2.1091		0.9987	2.3479	3.2362	2.5926	1.3734	2.2927
H9	2.5517	2.5727	3.6215	2.5726	2.1441	2.8572	2.8576	0.9987		3.2221	4.0174	3.5760	2.0018	2.4442
N10	4.3771	4.7865	5.0167	4.7856	2.8741	2.8730	2.8744	2.3479	3.2221		0.9965	0.9941	1.3778	2.2911
H11	5.3678	5.7455	6.0112	5.7446	3.8703	3.8196	3.8208	3.2362	4.0174	0.9965		1.7180	2.0302	2.4784
H12	4.1011	4.6242	4.5479	4.6239	2.5641	2.3865	2.3868	2.5926	3.5760	0.9941	1.7180		2.1027	3.2026
C13	3.7959	4.0518	4.6626	4.0510	2.5370	2.8599	2.8613	1.3734	2.0018	1.3778	2.0302	2.1027		1.2514
O14	4.7388	4.8481	5.7011	4.8468	3.6702	4.0314	4.0331	2.2927	2.4442	2.2911	2.4784	3.2026	1.2514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.432	C1	C5	H7	109.442
C1	C5	N8	109.957	H2	C1	H3	108.137
H2	C1	H4	108.594	H2	C1	C5	110.814
H3	C1	H4	108.137	H3	C1	C5	110.251
H4	C1	C5	110.817	C5	N8	H9	119.444
C5	N8	C13	126.377	H6	C5	H7	107.785
H6	C5	N8	110.095	H7	C5	N8	110.094
N8	C13	N10	117.174	N8	C13	O14	121.663
H9	N8	C13	114.179	N10	C13	O14	121.164
H11	N10	H12	119.319	H11	N10	C13	116.615
H12	N10	C13	124.065

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

using model chemistry: HF/CEP-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	-0.278
2	H	0.111
3	H	0.126
4	H	0.111
5	C	-0.122
6	H	0.115
7	H	0.115
8	N	-0.386
9	H	0.383
10	N	-0.590
11	H	0.381
12	H	0.368
13	C	-0.009
14	O	-0.327

	x	y	z	Total
	4.331	3.950	-0.002	5.862
CHELPG
AIM
ESP

	x	y	z
x	7.877	0.359	-0.001
y	0.359	6.701	-0.000
z	-0.001	-0.000	4.582

<r²>	168.264
(<r²>)^1/2	12.972

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

using model chemistry: HF/CEP-31G

States and conformations

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