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	hartrees
Energy at 0K	-306.982231
Energy at 298.15K
HF Energy	-305.954158
Nuclear repulsion energy	243.675571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3043	8.86
2	A'	3141	2997	27.84
3	A'	3083	2942	17.42
4	A'	3078	2937	3.01
5	A'	3062	2922	17.22
6	A'	1848	1763	233.44
7	A'	1549	1478	4.49
8	A'	1522	1452	2.44
9	A'	1497	1428	10.98
10	A'	1465	1398	3.72
11	A'	1431	1365	68.93
12	A'	1415	1350	21.04
13	A'	1306	1246	415.75
14	A'	1164	1110	17.56
15	A'	1116	1065	77.37
16	A'	1031	984	11.25
17	A'	967	922	5.82
18	A'	888	847	11.81
19	A'	650	620	9.30
20	A'	433	413	0.65
21	A'	379	361	9.32
22	A'	200	191	4.38
23	A"	3151	3007	13.67
24	A"	3151	3006	38.41
25	A"	3123	2979	6.09
26	A"	1507	1438	5.78
27	A"	1501	1432	7.24
28	A"	1324	1263	1.71
29	A"	1208	1152	4.12
30	A"	1081	1032	4.14
31	A"	826	788	0.05
32	A"	607	579	6.68
33	A"	270	258	1.02
34	A"	151	144	4.34
35	A"	79	75	0.10
36	A"	54	52	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.033	0.000
C2	-0.904	-0.519	0.000
O3	0.000	0.484	0.000
O4	-0.606	-1.687	0.000
C5	1.375	0.060	0.000
C6	2.230	1.315	0.000
H7	-3.025	-0.792	0.000
H8	-2.458	0.661	0.884
H9	-2.458	0.661	-0.884
H10	1.559	-0.559	0.885
H11	1.559	-0.559	-0.885
H12	3.291	1.041	0.000
H13	2.024	1.919	-0.889
H14	2.024	1.919	0.889

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5120	2.3551	2.4225	3.6867	4.7187	1.0908	1.0945	1.0945	4.0148	4.0148	5.6924	4.8107	4.8107
C2	1.5120		1.3504	1.2053	2.3516	3.6312	2.1380	2.1425	2.1425	2.6181	2.6181	4.4758	3.9128	3.9128
O3	2.3551	1.3504		2.2539	1.4388	2.3796	3.2828	2.6184	2.6184	2.0739	2.0739	3.3377	2.6357	2.6357
O4	2.4225	1.2053	2.2539		2.6414	4.1296	2.5789	3.1187	3.1187	2.5974	2.5974	4.7570	4.5512	4.5512
C5	3.6867	2.3516	1.4388	2.6414		1.5183	4.4815	3.9795	3.9795	1.0951	1.0951	2.1525	2.1608	2.1608
C6	4.7187	3.6312	2.3796	4.1296	1.5183		5.6612	4.8152	4.8152	2.1775	2.1775	1.0958	1.0948	1.0948
H7	1.0908	2.1380	3.2828	2.5789	4.4815	5.6612		1.7931	1.7931	4.6747	4.6747	6.5762	5.7991	5.7991
H8	1.0945	2.1425	2.6184	3.1187	3.9795	4.8152	1.7931		1.7687	4.1987	4.5562	5.8290	4.9815	4.6551
H9	1.0945	2.1425	2.6184	3.1187	3.9795	4.8152	1.7931	1.7687		4.5562	4.1987	5.8290	4.6551	4.9815
H10	4.0148	2.6181	2.0739	2.5974	1.0951	2.1775	4.6747	4.1987	4.5562		1.7695	2.5177	3.0826	2.5211
H11	4.0148	2.6181	2.0739	2.5974	1.0951	2.1775	4.6747	4.5562	4.1987	1.7695		2.5177	2.5211	3.0826
H12	5.6924	4.4758	3.3377	4.7570	2.1525	1.0958	6.5762	5.8290	5.8290	2.5177	2.5177		1.7798	1.7798
H13	4.8107	3.9128	2.6357	4.5512	2.1608	1.0948	5.7991	4.9815	4.6551	3.0826	2.5211	1.7798		1.7781
H14	4.8107	3.9128	2.6357	4.5512	2.1608	1.0948	5.7991	4.6551	4.9815	2.5211	3.0826	1.7798	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.601	C1	C2	O4	125.752
C2	C1	H7	109.394	C2	C1	H8	109.529
C2	C1	H9	109.529	C2	O3	C5	114.902
O3	C2	O4	123.647	O3	C5	C6	107.130
O3	C5	H10	109.111	O3	C5	H11	109.111
C5	C6	H12	109.796	C5	C6	H13	110.519
C5	C6	H14	110.519	C6	C5	H10	111.831
C6	C5	H11	111.831	H7	C1	H8	110.278
H7	C1	H9	110.278	H8	C1	H9	107.809
H10	C5	H11	107.779	H12	C6	H13	108.678
H12	C6	H14	108.678	H13	C6	H14	108.600

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

using model chemistry: QCISD/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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All results from a given calculation for C4H8O2 (Ethyl acetate)

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

States and conformations

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