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	hartrees
Energy at 0K	-303.794650
Energy at 298.15K	-303.804987
HF Energy	-303.794650
Nuclear repulsion energy	243.013283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3627	3575	21.48
2	A	3556	3505	17.64
3	A	3507	3457	7.51
4	A	3066	3023	31.98
5	A	3051	3008	42.23
6	A	2983	2940	27.81
7	A	2959	2917	40.86
8	A	2936	2894	50.60
9	A	1754	1729	435.26
10	A	1604	1581	130.81
11	A	1500	1478	2.08
12	A	1479	1458	5.31
13	A	1469	1448	6.85
14	A	1434	1414	6.80
15	A	1392	1372	42.94
16	A	1383	1363	216.29
17	A	1338	1319	41.07
18	A	1281	1262	7.09
19	A	1167	1150	14.02
20	A	1138	1122	1.31
21	A	1104	1089	46.36
22	A	1040	1025	15.87
23	A	967	953	1.69
24	A	878	865	1.58
25	A	813	802	0.97
26	A	753	742	47.36
27	A	592	583	57.07
28	A	556	548	40.76
29	A	533	525	98.22
30	A	490	483	41.29
31	A	388	383	93.46
32	A	358	353	2.23
33	A	271	267	2.32
34	A	198	195	2.54
35	A	109	107	6.66
36	A	52	51	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-2.632	-0.218	-0.001
H2	-2.706	-1.033	0.731
H3	-3.449	0.485	0.193
H4	-2.769	-0.641	-1.004
C5	-1.281	0.486	0.108
H6	-1.251	1.315	-0.617
H7	-1.162	0.930	1.110
N8	-0.195	-0.450	-0.185
H9	-0.392	-1.430	-0.026
N10	1.473	1.180	0.046
H11	2.462	1.347	-0.079
H12	0.875	1.839	-0.436
C13	1.155	-0.176	-0.023
O14	1.999	-1.059	0.075

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0979	1.0956	1.0966	1.5274	2.1525	2.1709	2.4545	2.5464	4.3362	5.3294	4.0883	3.7869	4.7065
H2	1.0979		1.7730	1.7791	2.1743	3.0731	2.5263	2.7358	2.4668	4.7782	5.7475	4.7362	4.0265	4.7506
H3	1.0956	1.7730		1.7786	2.1703	2.4850	2.5040	3.4070	3.6138	4.9730	5.9801	4.5744	4.6565	5.6635
H4	1.0966	1.7791	1.7786		2.1729	2.5056	3.0852	2.7079	2.6884	4.7341	5.6721	4.4441	4.0712	4.9059
C5	1.5274	2.1743	2.1703	2.1729		1.1014	1.1022	1.4633	2.1163	2.8402	3.8451	2.6022	2.5275	3.6251
H6	2.1525	3.0731	2.4850	2.5056	1.1014		1.7714	2.1021	2.9364	2.8070	3.7525	2.1973	2.8926	4.0836
H7	2.1709	2.5263	2.5040	3.0852	1.1022	1.7714		2.1250	2.7297	2.8522	3.8367	2.7134	2.8064	3.8748
N8	2.4545	2.7358	3.4070	2.7079	1.4633	2.1021	2.1250		1.0120	2.3438	3.2098	2.5393	1.3869	2.2912
H9	2.5464	2.4668	3.6138	2.6884	2.1163	2.9364	2.7297	1.0120		3.2090	3.9830	3.5299	1.9915	2.4217
N10	4.3362	4.7782	4.9730	4.7341	2.8402	2.8070	2.8522	2.3438	3.2090		1.0112	1.0118	1.3951	2.3001
H11	5.3294	5.7475	5.9801	5.6721	3.8451	3.7525	3.8367	3.2098	3.9830	1.0112		1.6997	2.0083	2.4550
H12	4.0883	4.7362	4.5744	4.4441	2.6022	2.1973	2.7134	2.5393	3.5299	1.0118	1.6997		2.0762	3.1497
C13	3.7869	4.0265	4.6565	4.0712	2.5275	2.8926	2.8064	1.3869	1.9915	1.3951	2.0083	2.0762		1.2247
O14	4.7065	4.7506	5.6635	4.9059	3.6251	4.0836	3.8748	2.2912	2.4217	2.3001	2.4550	3.1497	1.2247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.724	C1	C5	H7	110.289
C1	C5	N8	110.514	H2	C1	H3	107.780
H2	C1	H4	108.331	H2	C1	C5	110.761
H3	C1	H4	108.386	H3	C1	C5	110.753
H4	C1	C5	110.725	C5	N8	H9	116.081
C5	N8	C13	124.877	H6	C5	H7	106.895
H6	C5	N8	109.317	H7	C5	N8	111.004
N8	C13	N10	115.237	N8	C13	O14	122.348
H9	N8	C13	111.008	N10	C13	O14	122.411
H11	N10	H12	114.016	H11	N10	C13	112.074
H12	N10	C13	118.132

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

using model chemistry: B97D3/6-311G**

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	-0.336
2	H	0.117
3	H	0.119
4	H	0.123
5	C	-0.081
6	H	0.103
7	H	0.122
8	N	-0.408
9	H	0.225
10	N	-0.449
11	H	0.223
12	H	0.207
13	C	0.419
14	O	-0.384

	x	y	z	Total
	-2.990	2.570	-0.560	3.983
CHELPG
AIM
ESP

	x	y	z
x	10.053	-0.069	0.105
y	-0.069	8.142	-0.085
z	0.105	-0.085	5.628

<r²>	204.103
(<r²>)^1/2	14.286

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

using model chemistry: B97D3/6-311G**

States and conformations

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