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	hartrees
Energy at 0K	-298.187548
Energy at 298.15K	-298.197964
Nuclear repulsion energy	240.267887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4145	3384	1.71
2	A	4018	3281	1.14
3	A	3948	3224	5.52
4	A	3762	3072	0.64
5	A	3754	3066	1.02
6	A	3714	3033	2.08
7	A	3584	2926	7.75
8	A	3573	2917	0.98
9	A	2132	1741	140.10
10	A	1946	1589	24.21
11	A	1841	1503	1.26
12	A	1825	1490	1.49
13	A	1818	1485	2.14
14	A	1745	1425	10.91
15	A	1721	1405	4.36
16	A	1624	1326	21.15
17	A	1568	1280	187.54
18	A	1511	1234	8.87
19	A	1391	1136	5.75
20	A	1350	1102	19.11
21	A	1306	1067	34.75
22	A	1257	1026	6.75
23	A	1116	911	3.03
24	A	1040	849	4.45
25	A	940	768	28.45
26	A	906	739	185.53
27	A	862	704	56.88
28	A	699	571	82.15
29	A	582	475	11.41
30	A	513	419	13.23
31	A	378	309	9.60
32	A	372	303	39.79
33	A	252	206	0.53
34	A	217	177	2.16
35	A	114	93	4.07
36	A	60	49	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-2.658	-0.081	-0.104
H2	-2.849	-1.139	0.049
H3	-3.410	0.485	0.438
H4	-2.753	0.136	-1.164
C5	-1.251	0.295	0.397
H6	-1.080	1.361	0.251
H7	-1.177	0.096	1.471
N8	-0.220	-0.456	-0.370
H9	-0.366	-1.469	-0.253
N10	1.460	1.242	-0.008
H11	2.477	1.377	-0.073
H12	1.013	1.727	-0.797
C13	1.163	-0.173	-0.046
O14	1.994	-1.041	0.155

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0861	1.0858	1.0854	1.5411	2.1676	2.1699	2.4809	2.6838	4.3265	5.3383	4.1506	3.8229	4.7569
H2	1.0861		1.7618	1.7625	2.1760	3.0699	2.5189	2.7486	2.5235	4.9236	5.8918	4.8835	4.1282	4.8451
H3	1.0858	1.7618		1.7655	2.1677	2.4959	2.4907	3.4219	3.6823	4.9478	5.9754	4.7564	4.6450	5.6216
H4	1.0854	1.7625	1.7655		2.1725	2.5105	3.0707	2.7195	3.0171	4.5065	5.4850	4.1050	4.0842	5.0651
C5	1.5411	2.1760	2.1677	2.1725		1.0895	1.0950	1.4880	2.0778	2.8993	3.9095	2.9323	2.4983	3.5169
H6	2.1676	3.0699	2.4959	2.5105	1.0895		1.7607	2.1040	2.9619	2.5555	3.5716	2.3686	2.7337	3.9020
H7	2.1699	2.5189	2.4907	3.0707	1.0950	1.7607		2.1473	2.4661	3.2333	4.1684	3.5496	2.8022	3.6165
N8	2.4809	2.7486	3.4219	2.7195	1.4880	2.1040	2.1473		1.0298	2.4160	3.2744	2.5434	1.4486	2.3492
H9	2.6838	2.5235	3.6823	3.0171	2.0778	2.9619	2.4661	1.0298		3.2774	4.0261	3.5227	2.0148	2.4324
N10	4.3265	4.9236	4.9478	4.5065	2.8993	2.5555	3.2333	2.4160	3.2774		1.0282	1.0281	1.4464	2.3502
H11	5.3383	5.8918	5.9754	5.4850	3.9095	3.5716	4.1684	3.2744	4.0261	1.0282		1.6705	2.0317	2.4756
H12	4.1506	4.8835	4.7564	4.1050	2.9323	2.3686	3.5496	2.5434	3.5227	1.0281	1.6705		2.0484	3.0869
C13	3.8229	4.1282	4.6450	4.0842	2.4983	2.7337	2.8022	1.4486	2.0148	1.4464	2.0317	2.0484		1.2180
O14	4.7569	4.8451	5.6216	5.0651	3.5169	3.9020	3.6165	2.3492	2.4324	2.3502	2.4756	3.0869	1.2180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.777	C1	C5	H7	109.638
C1	C5	N8	109.959	H2	C1	H3	108.418
H2	C1	H4	108.512	H2	C1	C5	110.645
H3	C1	H4	108.805	H3	C1	C5	110.002
H4	C1	C5	110.403	C5	N8	H9	109.893
C5	N8	C13	116.577	H6	C5	H7	107.413
H6	C5	N8	108.439	H7	C5	N8	111.563
N8	C13	N10	113.137	N8	C13	O14	123.293
H9	N8	C13	107.565	N10	C13	O14	123.564
H11	N10	H12	108.662	H11	N10	C13	109.213
H12	N10	C13	110.610

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

using model chemistry: HF/STO-3G

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	-0.179
2	H	0.061
3	H	0.065
4	H	0.069
5	C	-0.007
6	H	0.073
7	H	0.056
8	N	-0.352
9	H	0.172
10	N	-0.408
11	H	0.180
12	H	0.179
13	C	0.372
14	O	-0.283

	x	y	z	Total
	-1.334	1.085	-0.522	1.796
CHELPG
AIM
ESP

	x	y	z
x	4.933	-0.254	0.229
y	-0.254	4.184	-0.239
z	0.229	-0.239	2.333

<r²>	204.403
(<r²>)^1/2	14.297

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

using model chemistry: HF/STO-3G

States and conformations

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