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	hartrees
Energy at 0K	-302.327011
Energy at 298.15K	-302.337064
HF Energy	-302.327011
Nuclear repulsion energy	244.973445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3646	3592	61.66
2	A	3561	3508	47.77
3	A	3509	3456	21.26
4	A	3089	3043	9.72
5	A	3068	3023	14.26
6	A	2986	2942	15.41
7	A	2947	2904	23.98
8	A	2907	2864	45.63
9	A	1777	1750	569.32
10	A	1555	1532	302.59
11	A	1464	1442	3.89
12	A	1444	1423	131.68
13	A	1441	1419	53.48
14	A	1428	1406	12.77
15	A	1392	1371	15.65
16	A	1354	1334	21.02
17	A	1292	1272	3.30
18	A	1242	1224	0.42
19	A	1199	1181	15.78
20	A	1125	1108	1.11
21	A	1093	1077	2.70
22	A	1037	1022	12.21
23	A	1001	986	1.12
24	A	887	874	3.88
25	A	798	786	2.53
26	A	741	730	25.04
27	A	560	552	20.95
28	A	536	528	16.04
29	A	508	501	76.12
30	A	405	399	17.68
31	A	359	354	3.40
32	A	330	325	185.23
33	A	267	263	4.10
34	A	193	190	5.51
35	A	88	86	2.97
36	A	47	46	2.21

Atom	x (Å)	y (Å)	z (Å)
C1	-2.613	-0.061	-0.080
H2	-2.789	-1.145	-0.027
H3	-3.365	0.447	0.538
H4	-2.729	0.265	-1.123
C5	-1.212	0.273	0.408
H6	-1.050	1.358	0.359
H7	-1.102	-0.048	1.459
N8	-0.206	-0.390	-0.436
H9	-0.328	-1.407	-0.403
N10	1.457	1.191	-0.012
H11	2.454	1.247	0.213
H12	1.272	1.685	-0.893
C13	1.106	-0.145	-0.075
O14	1.900	-1.051	0.187

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0989	1.0981	1.0995	1.5210	2.1565	2.1564	2.4549	2.6714	4.2585	5.2417	4.3365	3.7204	4.6278
H2	1.0989		1.7851	1.7870	2.1649	3.0720	2.5010	2.7213	2.5027	4.8455	5.7678	5.0247	4.0216	4.6943
H3	1.0981	1.7851		1.7877	2.1643	2.4941	2.4931	3.4097	3.6807	4.9097	5.8832	5.0083	4.5521	5.4853
H4	1.0995	1.7870	1.7877		2.1559	2.4922	3.0679	2.6958	3.0137	4.4288	5.4423	4.2520	3.9976	4.9878
C5	1.5210	2.1649	2.1643	2.1559		1.0982	1.1041	1.4704	2.0646	2.8529	3.7983	3.1394	2.4046	3.3889
H6	2.1565	3.0720	2.4941	2.4922	1.0982		1.7861	2.0975	2.9583	2.5398	3.5094	2.6586	2.6646	3.8129
H7	2.1564	2.5010	2.4931	3.0679	1.1041	1.7861		2.1230	2.4314	3.2008	3.9847	3.7645	2.6903	3.4109
N8	2.4549	2.7213	3.4097	2.6958	1.4704	2.0975	2.1230		1.0256	2.3330	3.1903	2.5882	1.3832	2.2936
H9	2.6714	2.5027	3.6807	3.0137	2.0646	2.9583	2.4314	1.0256		3.1764	3.8946	3.5163	1.9388	2.3321
N10	4.2585	4.8455	4.9097	4.4288	2.8529	2.5398	3.2008	2.3330	3.1764		1.0242	1.0271	1.3826	2.2939
H11	5.2417	5.7678	5.8832	5.4423	3.7983	3.5094	3.9847	3.1903	3.8946	1.0242		1.6771	1.9591	2.3643
H12	4.3365	5.0247	5.0083	4.2520	3.1394	2.6586	3.7645	2.5882	3.5163	1.0271	1.6771		2.0117	3.0078
C13	3.7204	4.0216	4.5521	3.9976	2.4046	2.6646	2.6903	1.3832	1.9388	1.3826	1.9591	2.0117		1.2323
O14	4.6278	4.6943	5.4853	4.9878	3.3889	3.8129	3.4109	2.2936	2.3321	2.2939	2.3643	3.0078	1.2323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.789	C1	C5	H7	109.436
C1	C5	N8	110.289	H2	C1	H3	108.685
H2	C1	H4	108.752	H2	C1	C5	110.413
H3	C1	H4	108.875	H3	C1	C5	110.413
H4	C1	C5	109.663	C5	N8	H9	110.350
C5	N8	C13	114.811	H6	C5	H7	108.387
H6	C5	N8	108.620	H7	C5	N8	110.290
N8	C13	N10	115.026	N8	C13	O14	122.446
H9	N8	C13	106.252	N10	C13	O14	122.522
H11	N10	H12	109.689	H11	N10	C13	108.049
H12	N10	C13	112.363

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

using model chemistry: SVWN/6-31+G**

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	-0.741
2	H	0.206
3	H	0.195
4	H	0.205
5	C	-0.185
6	H	0.175
7	H	0.196
8	N	-0.412
9	H	0.335
10	N	-0.590
11	H	0.340
12	H	0.292
13	C	0.509
14	O	-0.525

	x	y	z	Total
	-3.688	2.908	-0.577	4.732
CHELPG
AIM
ESP

	x	y	z
x	10.794	-0.231	0.103
y	-0.231	9.010	-0.003
z	0.103	-0.003	6.633

<r²>	201.208
(<r²>)^1/2	14.185

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

using model chemistry: SVWN/6-31+G**

States and conformations

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