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	hartrees
Energy at 0K	-302.068002
Energy at 298.15K	-302.078757
Nuclear repulsion energy	246.028957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3966	3579	46.97
2	A	3879	3501	41.31
3	A	3840	3466	40.31
4	A	3269	2951	38.80
5	A	3259	2941	51.89
6	A	3202	2890	37.93
7	A	3189	2878	20.47
8	A	3172	2863	51.00
9	A	1970	1778	654.65
10	A	1784	1611	192.54
11	A	1668	1505	4.13
12	A	1635	1476	4.07
13	A	1622	1464	8.07
14	A	1615	1458	33.82
15	A	1564	1412	261.55
16	A	1553	1402	52.60
17	A	1494	1348	31.08
18	A	1418	1280	3.85
19	A	1304	1177	20.67
20	A	1270	1146	3.27
21	A	1225	1106	37.03
22	A	1157	1044	12.52
23	A	1062	959	2.97
24	A	970	876	2.79
25	A	890	803	10.69
26	A	870	785	95.44
27	A	644	581	60.58
28	A	609	550	15.52
29	A	574	518	129.73
30	A	526	475	37.14
31	A	409	369	169.24
32	A	388	350	5.44
33	A	291	262	2.22
34	A	215	194	3.54
35	A	113	102	7.19
36	A	64	58	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	-2.610	-0.217	0.003
H2	-2.683	-1.000	0.752
H3	-3.422	0.482	0.172
H4	-2.744	-0.665	-0.976
C5	-1.270	0.498	0.092
H6	-1.250	1.294	-0.648
H7	-1.162	0.962	1.069
N8	-0.191	-0.437	-0.163
H9	-0.389	-1.406	-0.055
N10	1.485	1.149	0.037
H11	2.464	1.307	-0.040
H12	0.903	1.830	-0.389
C13	1.140	-0.175	-0.019
O14	1.958	-1.052	0.068

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0859	1.0842	1.0849	1.5218	2.1352	2.1507	2.4353	2.5200	4.3176	5.2982	4.0852	3.7508	4.6444
H2	1.0859		1.7546	1.7609	2.1627	3.0461	2.5034	2.7144	2.4655	4.7442	5.6958	4.7090	3.9867	4.6917
H3	1.0842	1.7546		1.7585	2.1535	2.4594	2.4784	3.3759	3.5794	4.9540	5.9468	4.5645	4.6128	5.5951
H4	1.0849	1.7609	1.7585		2.1601	2.4859	3.0552	2.6892	2.6350	4.7122	5.6468	4.4580	4.0303	4.8320
C5	1.5218	2.1627	2.1535	2.1601		1.0873	1.0875	1.4503	2.1026	2.8316	3.8225	2.5938	2.5045	3.5806
H6	2.1352	3.0461	2.4594	2.4859	1.0873		1.7512	2.0865	2.8953	2.8233	3.7630	2.2335	2.8750	4.0382
H7	2.1507	2.5034	2.4784	3.0552	1.0875	1.7512		2.1027	2.7330	2.8475	3.8073	2.6726	2.7888	3.8464
N8	2.4353	2.7144	3.3759	2.6892	1.4503	2.0865	2.1027		0.9948	2.3162	3.1785	2.5277	1.3641	2.2469
H9	2.5200	2.4655	3.5794	2.6350	2.1026	2.8953	2.7330	0.9948		3.1700	3.9367	3.5007	1.9634	2.3767
N10	4.3176	4.7442	4.9540	4.7122	2.8316	2.8233	2.8475	2.3162	3.1700		0.9941	0.9927	1.3693	2.2515
H11	5.2982	5.6958	5.9468	5.6468	3.8225	3.7630	3.8073	3.1785	3.9367	0.9941		1.6830	1.9870	2.4150
H12	4.0852	4.7090	4.5645	4.4580	2.5938	2.2335	2.6726	2.5277	3.5007	0.9927	1.6830		2.0531	3.1036
C13	3.7508	3.9867	4.6128	4.0303	2.5045	2.8750	2.7888	1.3641	1.9634	1.3693	1.9870	2.0531		1.2024
O14	4.6444	4.6917	5.5951	4.8320	3.5806	4.0382	3.8464	2.2469	2.3767	2.2515	2.4150	3.1036	1.2024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.697	C1	C5	H7	109.905
C1	C5	N8	110.020	H2	C1	H3	107.906
H2	C1	H4	108.421	H2	C1	C5	110.960
H3	C1	H4	108.330	H3	C1	C5	110.316
H4	C1	C5	110.809	C5	N8	H9	117.395
C5	N8	C13	125.687	H6	C5	H7	107.263
H6	C5	N8	109.794	H7	C5	N8	111.092
N8	C13	N10	115.854	N8	C13	O14	122.073
H9	N8	C13	111.721	N10	C13	O14	122.069
H11	N10	H12	115.796	H11	N10	C13	113.482
H12	N10	C13	119.897

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

using model chemistry: HF/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	CHELPG
1	C	-0.365	-0.352
2	H	0.126	0.102
3	H	0.129	0.070
4	H	0.133	0.098
5	C	0.003	0.541
6	H	0.111	-0.056
7	H	0.131	-0.051
8	N	-0.733	-0.903
9	H	0.315	0.375
10	N	-0.766	-1.027
11	H	0.318	0.411
12	H	0.300	0.401
13	C	0.934	1.109
14	O	-0.636	-0.718

	x	y	z	Total
	-3.272	2.944	-0.580	4.439
CHELPG
AIM
ESP

	x	y	z
x	7.984	-0.238	0.118
y	-0.238	6.825	-0.096
z	0.118	-0.096	4.747

<r²>	200.617
(<r²>)^1/2	14.164

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

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

States and conformations

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