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	hartrees
Energy at 0K	-306.105321
Energy at 298.15K
HF Energy	-306.105321
Nuclear repulsion energy	244.984692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3082	1.20
2	A'	3095	3038	9.60
3	A'	3011	2955	0.30
4	A'	3002	2946	10.54
5	A'	2986	2930	13.10
6	A'	1828	1794	197.79
7	A'	1463	1436	10.77
8	A'	1441	1414	1.14
9	A'	1411	1385	18.65
10	A'	1384	1358	35.23
11	A'	1352	1327	171.51
12	A'	1317	1292	16.26
13	A'	1272	1248	244.77
14	A'	1120	1099	11.65
15	A'	1099	1078	64.19
16	A'	976	958	6.92
17	A'	963	945	2.45
18	A'	854	838	3.68
19	A'	641	629	6.17
20	A'	418	410	0.97
21	A'	368	361	11.55
22	A'	194	190	5.15
23	A"	3093	3035	13.93
24	A"	3091	3033	0.58
25	A"	3026	2970	11.47
26	A"	1428	1402	8.57
27	A"	1415	1388	12.14
28	A"	1242	1218	0.71
29	A"	1138	1116	4.76
30	A"	1015	996	9.07
31	A"	773	758	2.77
32	A"	587	576	2.30
33	A"	266	261	1.00
34	A"	159	156	3.53
35	A"	34	34	0.07
36	A"	22	21	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	-2.295	0.052	0.000
C2	-0.907	-0.492	0.000
O3	0.000	0.499	0.000
O4	-0.600	-1.666	0.000
C5	1.353	0.049	0.000
C6	2.233	1.260	0.000
H7	-3.012	-0.779	0.000
H8	-2.455	0.688	0.885
H9	-2.455	0.688	-0.885
H10	1.516	-0.595	0.884
H11	1.516	-0.595	-0.884
H12	3.293	0.962	0.000
H13	2.050	1.881	-0.892
H14	2.050	1.881	0.892

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4904	2.3380	2.4129	3.6480	4.6862	1.0971	1.1018	1.1018	3.9647	3.9647	5.6616	4.7975	4.7975
C2	1.4904		1.3437	1.2133	2.3244	3.5962	2.1242	2.1385	2.1385	2.5811	2.5811	4.4451	3.8949	3.8949
O3	2.3380	1.3437		2.2467	1.4259	2.3591	3.2717	2.6169	2.6169	2.0676	2.0676	3.3255	2.6280	2.6280
O4	2.4129	1.2133	2.2467		2.5998	4.0734	2.5699	3.1252	3.1252	2.5310	2.5310	4.6977	4.5165	4.5165
C5	3.6480	2.3244	1.4259	2.5998		1.4970	4.4430	3.9620	3.9620	1.1057	1.1057	2.1441	2.1529	2.1529
C6	4.6862	3.5962	2.3591	4.0734	1.4970		5.6272	4.8052	4.8052	2.1769	2.1769	1.1014	1.1016	1.1016
H7	1.0971	2.1242	3.2717	2.5699	4.4430	5.6272		1.8010	1.8010	4.6168	4.6168	6.5410	5.7869	5.7869
H8	1.1018	2.1385	2.6169	3.1252	3.9620	4.8052	1.8010		1.7700	4.1732	4.5326	5.8227	4.9876	4.6603
H9	1.1018	2.1385	2.6169	3.1252	3.9620	4.8052	1.8010	1.7700		4.5326	4.1732	5.8227	4.6603	4.9876
H10	3.9647	2.5811	2.0676	2.5310	1.1057	2.1769	4.6168	4.1732	4.5326		1.7677	2.5231	3.0933	2.5328
H11	3.9647	2.5811	2.0676	2.5310	1.1057	2.1769	4.6168	4.5326	4.1732	1.7677		2.5231	2.5328	3.0933
H12	5.6616	4.4451	3.3255	4.6977	2.1441	1.1014	6.5410	5.8227	5.8227	2.5231	2.5231		1.7846	1.7846
H13	4.7975	3.8949	2.6280	4.5165	2.1529	1.1016	5.7869	4.9876	4.6603	3.0933	2.5328	1.7846		1.7837
H14	4.7975	3.8949	2.6280	4.5165	2.1529	1.1016	5.7869	4.6603	4.9876	2.5328	3.0933	1.7846	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.062	C1	C2	O4	126.059
C2	C1	H7	109.421	C2	C1	H8	110.276
C2	C1	H9	110.276	C2	O3	C5	114.089
O3	C2	O4	122.878	O3	C5	C6	107.603
O3	C5	H10	108.853	O3	C5	H11	108.853
C5	C6	H12	110.277	C5	C6	H13	110.973
C5	C6	H14	110.973	C6	C5	H10	112.655
C6	C5	H11	112.655	H7	C1	H8	109.982
H7	C1	H9	109.982	H8	C1	H9	106.875
H10	C5	H11	106.130	H12	C6	H13	108.205
H12	C6	H14	108.205	H13	C6	H14	108.105

All results from a given calculation for C₄H₈O₂ (Ethyl acetate)

using model chemistry: LSDA/6-31G**

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	-0.505
2	C	0.491
3	O	-0.369
4	O	-0.413
5	C	-0.056
6	C	-0.455
7	H	0.177
8	H	0.179
9	H	0.179
10	H	0.154
11	H	0.154
12	H	0.149
13	H	0.157
14	H	0.157

	x	y	z	Total
	0.197	1.924	0.000	1.934
CHELPG
AIM
ESP

	x	y	z
x	9.026	0.492	0.000
y	0.492	7.527	0.000
z	0.000	0.000	5.831

<r²>	197.767
(<r²>)^1/2	14.063

All results from a given calculation for C4H8O2 (Ethyl acetate)

using model chemistry: LSDA/6-31G**

States and conformations

All results from a given calculation for C₄H₈O₂ (Ethyl acetate)