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	hartrees
Energy at 0K	-56.605828
Energy at 298.15K	-56.615777
HF Energy	-56.061837
Nuclear repulsion energy	133.407672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3794	3666	36.12
2	A	3655	3532	32.40
3	A	3637	3515	41.03
4	A	3148	3042	64.51
5	A	3148	3042	50.31
6	A	3075	2972	49.21
7	A	3042	2939	29.88
8	A	3020	2918	62.15
9	A	1708	1651	320.74
10	A	1654	1598	321.43
11	A	1559	1506	5.64
12	A	1528	1477	10.29
13	A	1518	1467	7.76
14	A	1481	1431	19.18
15	A	1458	1408	2.70
16	A	1429	1381	384.01
17	A	1392	1346	27.28
18	A	1308	1264	0.62
19	A	1202	1161	18.84
20	A	1198	1157	1.75
21	A	1124	1086	18.24
22	A	1067	1031	17.02
23	A	988	954	2.61
24	A	889	859	4.82
25	A	848	820	1.26
26	A	702	678	42.87
27	A	554	535	6.44
28	A	524	507	188.69
29	A	519	501	15.37
30	A	419	405	17.63
31	A	357	345	0.07
32	A	272	263	293.53
33	A	247	239	16.77
34	A	197	190	6.03
35	A	62	60	6.12
36	A	46	45	9.74

Atom	x (Å)	y (Å)	z (Å)
C1	-2.690	-0.241	0.006
H2	-2.782	-0.883	0.907
H3	-3.524	0.491	0.014
H4	-2.793	-0.876	-0.900
C5	-1.318	0.509	-0.000
H6	-1.253	1.163	-0.900
H7	-1.239	1.155	0.904
N8	-0.200	-0.481	-0.013
H9	-0.411	-1.481	-0.012
N10	1.492	1.207	0.004
H11	2.481	1.444	0.006
H12	0.802	1.952	-0.024
C13	1.174	-0.171	-0.002
O14	2.085	-1.079	0.005

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.1105	1.1100	1.1105	1.5643	2.2042	2.2051	2.5013	2.5945	4.4261	5.4393	4.1241	3.8645	4.8485
H2	1.1105		1.7997	1.8072	2.2146	3.1289	2.5561	2.7694	2.6121	4.8423	5.8246	4.6635	4.1203	4.9538
H3	1.1100	1.7997		1.7997	2.2062	2.5382	2.5399	3.4630	3.6852	5.0667	6.0803	4.5659	4.7440	5.8249
H4	1.1105	1.8072	1.7997		2.2146	2.5556	3.1295	2.7685	2.6131	4.8499	5.8332	4.6573	4.1279	4.9659
C5	1.5643	2.2146	2.2062	2.2146		1.1142	1.1141	1.4931	2.1866	2.8952	3.9125	2.5645	2.5824	3.7552
H6	2.2042	3.1289	2.5382	2.5556	1.1142		1.8035	2.1448	2.9133	2.8906	3.8530	2.3689	2.9113	4.1220
H7	2.2051	2.5561	2.5399	3.1295	1.1141	1.8035		2.1444	2.9111	2.8761	3.8383	2.3797	2.8985	4.1052
N8	2.5013	2.7694	3.4630	2.7685	1.4931	2.1448	2.1444		1.0211	2.3910	3.3017	2.6322	1.4088	2.3627
H9	2.5945	2.6121	3.6852	2.6131	2.1866	2.9133	2.9111	1.0211		3.2933	4.1134	3.6409	2.0557	2.5285
N10	4.4261	4.8423	5.0667	4.8499	2.8952	2.8906	2.8761	2.3910	3.2933		1.0173	1.0161	1.4145	2.3616
H11	5.4393	5.8246	6.0803	5.8332	3.9125	3.8530	3.8383	3.3017	4.1134	1.0173		1.7549	2.0782	2.5538
H12	4.1241	4.6635	4.5659	4.6573	2.5645	2.3689	2.3797	2.6322	3.6409	1.0161	1.7549		2.1557	3.2917
C13	3.8645	4.1203	4.7440	4.1279	2.5824	2.9113	2.8985	1.4088	2.0557	1.4145	2.0782	2.1557		1.2866
O14	4.8485	4.9538	5.8249	4.9659	3.7552	4.1220	4.1052	2.3627	2.5285	2.3616	2.5538	3.2917	1.2866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.615	C1	C5	H7	109.692
C1	C5	N8	109.777	H2	C1	H3	108.289
H2	C1	H4	108.917	H2	C1	C5	110.635
H3	C1	H4	108.283	H3	C1	C5	110.012
H4	C1	C5	110.636	C5	N8	H9	119.666
C5	N8	C13	125.701	H6	C5	H7	108.068
H6	C5	N8	109.843	H7	C5	N8	109.821
N8	C13	N10	115.746	N8	C13	O14	122.396
H9	N8	C13	114.624	N10	C13	O14	121.858
H11	N10	H12	119.324	H11	N10	C13	116.486
H12	N10	C13	124.156

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

using model chemistry: MP2/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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All results from a given calculation for NH2CONHC2H5 (Urea, ethyl-)

using model chemistry: MP2/CEP-31G

States and conformations

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