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	hartrees
Energy at 0K	-303.900288
Energy at 298.15K	-303.910688
Nuclear repulsion energy	244.938829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3581	35.52
2	A	3666	3507	30.67
3	A	3624	3467	21.24
4	A	3147	3011	22.50
5	A	3132	2996	30.29
6	A	3058	2926	19.96
7	A	3042	2910	32.42
8	A	3015	2884	43.30
9	A	1832	1752	521.32
10	A	1636	1565	178.66
11	A	1534	1468	2.53
12	A	1509	1443	3.70
13	A	1496	1431	8.81
14	A	1474	1410	55.56
15	A	1455	1392	227.50
16	A	1419	1357	24.80
17	A	1366	1307	17.69
18	A	1308	1252	3.07
19	A	1218	1165	19.22
20	A	1170	1119	1.26
21	A	1135	1086	22.02
22	A	1079	1032	16.08
23	A	1008	964	2.03
24	A	909	870	2.80
25	A	828	792	0.58
26	A	790	756	49.91
27	A	597	571	50.07
28	A	563	539	12.61
29	A	527	505	120.25
30	A	487	466	23.80
31	A	378	362	139.22
32	A	363	347	1.93
33	A	275	263	2.54
34	A	196	188	3.42
35	A	108	103	6.34
36	A	51	49	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-2.611	-0.220	0.005
H2	-2.685	-0.998	0.770
H3	-3.428	0.484	0.165
H4	-2.747	-0.687	-0.973
C5	-1.271	0.488	0.083
H6	-1.248	1.280	-0.676
H7	-1.161	0.976	1.060
N8	-0.192	-0.449	-0.156
H9	-0.392	-1.428	-0.034
N10	1.463	1.166	0.046
H11	2.447	1.343	-0.064
H12	0.854	1.838	-0.388
C13	1.146	-0.175	-0.019
O14	1.985	-1.049	0.062

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0930	1.0907	1.0920	1.5173	2.1383	2.1554	2.4348	2.5264	4.3035	5.2943	4.0489	3.7572	4.6702
H2	1.0930		1.7644	1.7714	2.1630	3.0568	2.5104	2.7156	2.4680	4.7344	5.7020	4.6804	3.9973	4.7237
H3	1.0907	1.7644		1.7688	2.1583	2.4684	2.4868	3.3831	3.5934	4.9399	5.9419	4.5247	4.6251	5.6270
H4	1.0920	1.7714	1.7688		2.1617	2.4907	3.0679	2.6929	2.6413	4.7111	5.6500	4.4361	4.0407	4.8574
C5	1.5173	2.1630	2.1583	2.1617		1.0971	1.0973	1.4492	2.1115	2.8174	3.8181	2.5612	2.5089	3.6012
H6	2.1383	3.0568	2.4684	2.4907	1.0971		1.7644	2.0916	2.9117	2.8078	3.7459	2.1933	2.8777	4.0528
H7	2.1554	2.5104	2.4868	3.0679	1.0973	1.7644		2.1085	2.7504	2.8193	3.7964	2.6267	2.7946	3.8720
N8	2.4348	2.7156	3.3831	2.6929	1.4492	2.0916	2.1085		1.0067	2.3212	3.1911	2.5252	1.3727	2.2689
H9	2.5264	2.4680	3.5934	2.6413	2.1115	2.9117	2.7504	1.0067		3.1900	3.9670	3.5132	1.9838	2.4087
N10	4.3035	4.7344	4.9399	4.7111	2.8174	2.8078	2.8193	2.3212	3.1900		1.0057	1.0056	1.3797	2.2766
H11	5.2943	5.7020	5.9419	5.6500	3.8181	3.7459	3.7964	3.1911	3.9670	1.0057		1.6998	1.9996	2.4401
H12	4.0489	4.6804	4.5247	4.4361	2.5612	2.1933	2.6267	2.5252	3.5132	1.0056	1.6998		2.0674	3.1339
C13	3.7572	3.9973	4.6251	4.0407	2.5089	2.8777	2.7946	1.3727	1.9838	1.3797	1.9996	2.0674		1.2146
O14	4.6702	4.7237	5.6270	4.8574	3.6012	4.0528	3.8720	2.2689	2.4087	2.2766	2.4401	3.1339	1.2146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.678	C1	C5	H7	110.015
C1	C5	N8	110.304	H2	C1	H3	107.800
H2	C1	H4	108.333	H2	C1	C5	110.872
H3	C1	H4	108.263	H3	C1	C5	110.634
H4	C1	C5	110.830	C5	N8	H9	117.451
C5	N8	C13	125.498	H6	C5	H7	107.038
H6	C5	N8	109.685	H7	C5	N8	111.037
N8	C13	N10	114.990	N8	C13	O14	122.432
H9	N8	C13	112.056	N10	C13	O14	122.566
H11	N10	H12	115.366	H11	N10	C13	112.986
H12	N10	C13	119.332

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

using model chemistry: mPW1PW91/6-311G**

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	-0.375
2	H	0.132
3	H	0.133
4	H	0.137
5	C	-0.106
6	H	0.119
7	H	0.139
8	N	-0.459
9	H	0.241
10	N	-0.489
11	H	0.235
12	H	0.217
13	C	0.490
14	O	-0.415

	x	y	z	Total
	-3.148	2.710	-0.559	4.191
CHELPG
AIM
ESP

	x	y	z
x	9.412	-0.128	0.095
y	-0.128	7.724	-0.062
z	0.095	-0.062	5.436

<r²>	201.322
(<r²>)^1/2	14.189

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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