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	hartrees
Energy at 0K	-302.134784
Energy at 298.15K	-302.145580
Nuclear repulsion energy	246.157733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3934	3574	40.79
2	A	3853	3500	35.68
3	A	3817	3468	37.28
4	A	3242	2946	44.30
5	A	3232	2936	60.64
6	A	3181	2890	32.69
7	A	3167	2877	18.40
8	A	3157	2868	53.19
9	A	1953	1774	686.14
10	A	1780	1617	177.96
11	A	1658	1506	3.69
12	A	1628	1479	6.22
13	A	1613	1465	12.56
14	A	1608	1461	14.19
15	A	1549	1407	209.71
16	A	1541	1400	120.70
17	A	1489	1353	34.44
18	A	1416	1286	4.61
19	A	1297	1179	18.26
20	A	1262	1147	3.32
21	A	1225	1113	48.38
22	A	1152	1046	14.06
23	A	1057	960	3.42
24	A	966	877	3.23
25	A	889	808	20.99
26	A	874	794	65.04
27	A	646	587	57.27
28	A	612	556	13.58
29	A	573	521	130.91
30	A	529	481	45.19
31	A	416	378	141.62
32	A	387	351	1.38
33	A	292	265	2.07
34	A	215	195	3.30
35	A	113	103	7.19
36	A	66	60	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-2.610	-0.213	-0.006
H2	-2.689	-1.015	0.723
H3	-3.420	0.485	0.177
H4	-2.741	-0.637	-0.997
C5	-1.268	0.493	0.107
H6	-1.241	1.306	-0.614
H7	-1.163	0.934	1.096
N8	-0.190	-0.440	-0.167
H9	-0.389	-1.407	-0.043
N10	1.483	1.150	0.035
H11	2.459	1.311	-0.058
H12	0.898	1.820	-0.407
C13	1.142	-0.177	-0.020
O14	1.957	-1.048	0.070

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0864	1.0846	1.0853	1.5212	2.1342	2.1500	2.4363	2.5220	4.3144	5.2941	4.0745	3.7525	4.6440
H2	1.0864		1.7556	1.7616	2.1620	3.0453	2.5027	2.7143	2.4559	4.7504	5.7031	4.7094	3.9913	4.6921
H3	1.0846	1.7556		1.7599	2.1531	2.4594	2.4771	3.3772	3.5796	4.9494	5.9414	4.5567	4.6137	5.5923
H4	1.0853	1.7616	1.7599		2.1595	2.4841	3.0548	2.6897	2.6520	4.7006	5.6317	4.4298	4.0300	4.8354
C5	1.5212	2.1620	2.1531	2.1595		1.0869	1.0877	1.4517	2.0987	2.8289	3.8194	2.5911	2.5045	3.5746
H6	2.1342	3.0453	2.4594	2.4841	1.0869		1.7518	2.0865	2.9000	2.8040	3.7416	2.2091	2.8688	4.0295
H7	2.1500	2.5027	2.4771	3.0548	1.0877	1.7518		2.1042	2.7155	2.8590	3.8206	2.7001	2.7915	3.8361
N8	2.4363	2.7143	3.3772	2.6897	1.4517	2.0865	2.1042		0.9945	2.3169	3.1775	2.5197	1.3655	2.2443
H9	2.5220	2.4559	3.5796	2.6520	2.0987	2.9000	2.7155	0.9945		3.1697	3.9367	3.4927	1.9635	2.3762
N10	4.3144	4.7504	4.9494	4.7006	2.8289	2.8040	2.8590	2.3169	3.1697		0.9941	0.9927	1.3717	2.2492
H11	5.2941	5.7031	5.9414	5.6317	3.8194	3.7416	3.8206	3.1775	3.9367	0.9941		1.6791	1.9878	2.4149
H12	4.0745	4.7094	4.5567	4.4298	2.5911	2.2091	2.7001	2.5197	3.4927	0.9927	1.6791		2.0489	3.0944
C13	3.7525	3.9913	4.6137	4.0300	2.5045	2.8688	2.7915	1.3655	1.9635	1.3717	1.9878	2.0489		1.1963
O14	4.6440	4.6921	5.5923	4.8354	3.5746	4.0295	3.8361	2.2443	2.3762	2.2492	2.4149	3.0944	1.1963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.681	C1	C5	H7	109.884
C1	C5	N8	110.045	H2	C1	H3	107.931
H2	C1	H4	108.414	H2	C1	C5	110.916
H3	C1	H4	108.396	H3	C1	C5	110.306
H4	C1	C5	110.784	C5	N8	H9	116.937
C5	N8	C13	125.463	H6	C5	H7	107.336
H6	C5	N8	109.715	H7	C5	N8	111.111
N8	C13	N10	115.655	N8	C13	O14	122.197
H9	N8	C13	111.646	N10	C13	O14	122.142
H11	N10	H12	115.372	H11	N10	C13	113.363
H12	N10	C13	119.259

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

using model chemistry: HF/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	-0.271
2	H	0.098
3	H	0.102
4	H	0.105
5	C	0.009
6	H	0.081
7	H	0.103
8	N	-0.539
9	H	0.241
10	N	-0.528
11	H	0.236
12	H	0.218
13	C	0.660
14	O	-0.514

	x	y	z	Total
	-3.243	2.926	-0.563	4.404
CHELPG
AIM
ESP

	x	y	z
x	8.370	-0.210	0.088
y	-0.210	7.057	-0.064
z	0.088	-0.064	5.188

<r²>	200.549
(<r²>)^1/2	14.162

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

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

States and conformations

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