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	hartrees
Energy at 0K	-57.486558
Energy at 298.15K	-57.496850
Nuclear repulsion energy	134.404393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3776	3657	31.29
2	A	3648	3533	28.55
3	A	3623	3509	30.15
4	A	3135	3036	55.92
5	A	3130	3031	72.83
6	A	3043	2947	31.01
7	A	3041	2945	54.68
8	A	3003	2908	63.81
9	A	1679	1626	399.66
10	A	1626	1574	242.58
11	A	1540	1491	4.57
12	A	1513	1465	14.72
13	A	1505	1458	10.49
14	A	1456	1410	78.80
15	A	1434	1389	30.99
16	A	1426	1381	266.29
17	A	1368	1325	18.27
18	A	1299	1258	0.33
19	A	1195	1157	19.82
20	A	1172	1135	2.95
21	A	1103	1068	11.50
22	A	1057	1024	14.11
23	A	991	960	0.40
24	A	889	861	3.39
25	A	828	802	1.94
26	A	738	715	81.10
27	A	552	534	8.63
28	A	551	533	211.65
29	A	522	506	16.80
30	A	495	479	1.67
31	A	405	392	229.72
32	A	354	343	0.01
33	A	256	248	0.04
34	A	192	186	6.27
35	A	106	102	0.78
36	A	64	62	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	2.647	-0.215	0.000
H2	2.756	-0.850	-0.896
H3	3.468	0.521	0.000
H4	2.756	-0.850	0.897
C5	1.274	0.508	-0.000
H6	1.201	1.158	0.894
H7	1.202	1.158	-0.894
N8	0.174	-0.482	-0.000
H9	0.394	-1.476	-0.000
N10	-1.542	1.157	0.000
H11	-2.535	1.363	0.000
H12	-0.874	1.920	0.000
C13	-1.192	-0.198	-0.000
O14	-2.074	-1.116	0.000

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.1043	1.1030	1.1043	1.5509	2.1844	2.1844	2.4869	2.5811	4.4076	5.4164	4.1174	3.8383	4.8059
H2	1.1043		1.7865	1.7934	2.2006	3.1072	2.5393	2.7576	2.6022	4.8277	5.8048	4.6536	4.1004	4.9197
H3	1.1030	1.7865		1.7866	2.1938	2.5181	2.5180	3.4434	3.6654	5.0502	6.0616	4.5620	4.7149	5.7789
H4	1.1043	1.7934	1.7866		2.2006	2.5392	3.1072	2.7577	2.6026	4.8273	5.8044	4.6531	4.1001	4.9195
C5	1.5509	2.2006	2.1938	2.2006		1.1080	1.1080	1.4801	2.1698	2.8902	3.9040	2.5710	2.5650	3.7213
H6	2.1844	3.1072	2.5181	2.5392	1.1080		1.7882	2.1323	2.8963	2.8855	3.8472	2.3849	2.8925	4.0867
H7	2.1844	2.5393	2.5180	3.1072	1.1080	1.7882		2.1324	2.8961	2.8862	3.8480	2.3857	2.8929	4.0871
N8	2.4869	2.7576	3.4434	2.7577	1.4801	2.1323	2.1324		1.0173	2.3735	3.2779	2.6209	1.3951	2.3357
H9	2.5811	2.6022	3.6654	2.6026	2.1698	2.8963	2.8961	1.0173		3.2683	4.0790	3.6246	2.0365	2.4944
N10	4.4076	4.8277	5.0502	4.8273	2.8902	2.8855	2.8862	2.3735	3.2683		1.0139	1.0134	1.4000	2.3348
H11	5.4164	5.8048	6.0616	5.8044	3.9040	3.8472	3.8480	3.2779	4.0790	1.0139		1.7513	2.0595	2.5217
H12	4.1174	4.6536	4.5620	4.6531	2.5710	2.3849	2.3857	2.6209	3.6246	1.0134	1.7513		2.1415	3.2642
C13	3.8383	4.1004	4.7149	4.1001	2.5650	2.8925	2.8929	1.3951	2.0365	1.4000	2.0595	2.1415		1.2733
O14	4.8059	4.9197	5.7789	4.9195	3.7213	4.0867	4.0871	2.3357	2.4944	2.3348	2.5217	3.2642	1.2733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.350	C1	C5	H7	109.351
C1	C5	N8	110.241	H2	C1	H3	108.068
H2	C1	H4	108.587	H2	C1	C5	110.828
H3	C1	H4	108.071	H3	C1	C5	110.363
H4	C1	C5	110.828	C5	N8	H9	119.488
C5	N8	C13	126.254	H6	C5	H7	107.599
H6	C5	N8	110.124	H7	C5	N8	110.127
N8	C13	N10	116.249	N8	C13	O14	122.110
H9	N8	C13	114.258	N10	C13	O14	121.641
H11	N10	H12	119.500	H11	N10	C13	116.203
H12	N10	C13	124.298

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.391
2	H	0.148
3	H	0.160
4	H	0.148
5	C	-0.290
6	H	0.151
7	H	0.151
8	N	-0.168
9	H	0.327
10	N	-0.416
11	H	0.326
12	H	0.316
13	C	-0.290
14	O	-0.172

	x	y	z	Total
	4.058	3.569	0.000	5.404
CHELPG
AIM
ESP

	x	y	z
x	9.184	0.297	0.002
y	0.297	7.472	0.001
z	0.002	0.001	4.805

<r²>	171.100
(<r²>)^1/2	13.081

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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