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	hartrees
Energy at 0K	-307.500728
Energy at 298.15K
HF Energy	-307.159010
Nuclear repulsion energy	243.606297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3194	3194	9.83	65.29	0.69	0.82
2	A'	3144	3144	30.19	74.13	0.71	0.83
3	A'	3090	3090	18.44	85.36	0.11	0.19
4	A'	3083	3083	2.81	132.85	0.01	0.02
5	A'	3071	3071	19.00	116.73	0.01	0.02
6	A'	1808	1808	229.53	3.50	0.40	0.57
7	A'	1554	1554	6.30	1.55	0.74	0.85
8	A'	1532	1532	3.48	17.26	0.75	0.85
9	A'	1507	1507	16.04	10.85	0.70	0.82
10	A'	1457	1457	7.10	3.48	0.66	0.79
11	A'	1431	1431	51.19	0.96	0.74	0.85
12	A'	1416	1416	17.21	2.24	0.75	0.86
13	A'	1282	1282	411.86	0.46	0.36	0.53
14	A'	1156	1156	13.66	6.68	0.15	0.27
15	A'	1088	1088	118.33	2.88	0.73	0.85
16	A'	1027	1027	8.40	1.76	0.26	0.41
17	A'	957	957	8.58	1.99	0.18	0.30
18	A'	873	873	11.24	8.59	0.31	0.47
19	A'	644	644	6.51	8.33	0.33	0.50
20	A'	432	432	0.69	0.36	0.66	0.80
21	A'	373	373	9.38	3.15	0.32	0.48
22	A'	196	196	4.74	0.33	0.65	0.79
23	A"	3157	3157	49.30	12.68	0.75	0.86
24	A"	3150	3150	7.88	58.27	0.75	0.86
25	A"	3129	3129	3.96	98.76	0.75	0.86
26	A"	1521	1521	8.09	12.27	0.75	0.86
27	A"	1509	1509	10.12	11.20	0.75	0.86
28	A"	1322	1322	0.93	8.93	0.75	0.86
29	A"	1203	1203	4.10	0.93	0.75	0.86
30	A"	1082	1082	5.61	0.20	0.75	0.86
31	A"	824	824	0.48	0.19	0.75	0.86
32	A"	609	609	5.32	1.15	0.75	0.86
33	A"	271	271	1.07	0.03	0.75	0.86
34	A"	155	155	4.55	0.02	0.75	0.86
35	A"	69	69	0.19	0.28	0.75	0.86
36	A"	44	44	0.73	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.309	0.028	0.000
C2	-0.907	-0.523	0.000
O3	0.000	0.479	0.000
O4	-0.608	-1.693	0.000
C5	1.384	0.067	0.000
C6	2.225	1.324	0.000
H7	-3.021	-0.793	0.000
H8	-2.465	0.655	0.879
H9	-2.465	0.655	-0.879
H10	1.566	-0.551	0.880
H11	1.566	-0.551	-0.880
H12	3.285	1.063	0.000
H13	2.020	1.928	-0.884
H14	2.020	1.928	0.884

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5067	2.3528	2.4194	3.6933	4.7158	1.0866	1.0908	1.0908	4.0160	4.0160	5.6896	4.8097	4.8097
C2	1.5067		1.3516	1.2073	2.3654	3.6357	2.1314	2.1417	2.1417	2.6251	2.6251	4.4823	3.9185	3.9185
O3	2.3528	1.3516		2.2559	1.4442	2.3799	3.2780	2.6225	2.6225	2.0713	2.0713	3.3370	2.6383	2.6383
O4	2.4194	1.2073	2.2559		2.6582	4.1386	2.5748	3.1193	3.1193	2.6091	2.6091	4.7707	4.5609	4.5609
C5	3.6933	2.3654	1.4442	2.6582		1.5123	4.4880	3.9912	3.9912	1.0911	1.0911	2.1469	2.1566	2.1566
C6	4.7158	3.6357	2.3799	4.1386	1.5123		5.6570	4.8180	4.8180	2.1736	2.1736	1.0918	1.0906	1.0906
H7	1.0866	2.1314	3.2780	2.5748	4.4880	5.6570		1.7829	1.7829	4.6771	4.6771	6.5740	5.7963	5.7963
H8	1.0908	2.1417	2.6225	3.1193	3.9912	4.8180	1.7829		1.7577	4.2073	4.5604	5.8311	4.9840	4.6617
H9	1.0908	2.1417	2.6225	3.1193	3.9912	4.8180	1.7829	1.7577		4.5604	4.2073	5.8311	4.6617	4.9840
H10	4.0160	2.6251	2.0713	2.6091	1.0911	2.1736	4.6771	4.2073	4.5604		1.7610	2.5176	3.0769	2.5205
H11	4.0160	2.6251	2.0713	2.6091	1.0911	2.1736	4.6771	4.5604	4.2073	1.7610		2.5176	2.5205	3.0769
H12	5.6896	4.4823	3.3370	4.7707	2.1469	1.0918	6.5740	5.8311	5.8311	2.5176	2.5176		1.7695	1.7695
H13	4.8097	3.9185	2.6383	4.5609	2.1566	1.0906	5.7963	4.9840	4.6617	3.0769	2.5205	1.7695		1.7686
H14	4.8097	3.9185	2.6383	4.5609	2.1566	1.0906	5.7963	4.6617	4.9840	2.5205	3.0769	1.7695	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.684	C1	C2	O4	125.749
C2	C1	H7	109.479	C2	C1	H8	110.050
C2	C1	H9	110.050	C2	O3	C5	115.526
O3	C2	O4	123.567	O3	C5	C6	107.190
O3	C5	H10	108.776	O3	C5	H11	108.776
C5	C6	H12	110.007	C5	C6	H13	110.853
C5	C6	H14	110.853	C6	C5	H10	112.201
C6	C5	H11	112.201	H7	C1	H8	109.938
H7	C1	H9	109.938	H8	C1	H9	107.363
H10	C5	H11	107.611	H12	C6	H13	108.349
H12	C6	H14	108.349	H13	C6	H14	108.350

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-311G*

States and conformations

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