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	hartrees
Energy at 0K	-307.382865
Energy at 298.15K
HF Energy	-307.086678
Nuclear repulsion energy	243.203093

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'	3218	3052	7.09	63.41	0.69	0.81
2	A'	3171	3007	23.39	69.70	0.73	0.84
3	A'	3108	2948	16.76	66.35	0.12	0.22
4	A'	3104	2944	1.38	123.74	0.01	0.02
5	A'	3094	2934	15.20	101.53	0.01	0.02
6	A'	1826	1731	209.79	3.55	0.38	0.55
7	A'	1568	1487	4.52	0.94	0.73	0.84
8	A'	1548	1468	2.51	23.40	0.75	0.86
9	A'	1522	1444	12.93	14.97	0.73	0.85
10	A'	1471	1396	5.11	5.87	0.74	0.85
11	A'	1447	1372	49.57	2.55	0.74	0.85
12	A'	1426	1352	8.19	3.18	0.63	0.77
13	A'	1302	1235	413.93	0.36	0.23	0.37
14	A'	1164	1104	14.36	6.78	0.17	0.30
15	A'	1098	1041	102.84	3.09	0.71	0.83
16	A'	1036	982	5.79	1.56	0.27	0.42
17	A'	963	913	6.79	1.92	0.24	0.39
18	A'	875	830	10.06	10.45	0.31	0.47
19	A'	643	610	6.92	7.99	0.33	0.49
20	A'	432	409	0.75	0.41	0.70	0.82
21	A'	372	353	9.72	2.80	0.32	0.48
22	A'	196	186	5.03	0.27	0.64	0.78
23	A"	3182	3017	37.14	19.45	0.75	0.86
24	A"	3175	3011	5.51	56.35	0.75	0.86
25	A"	3152	2989	7.72	82.70	0.75	0.86
26	A"	1538	1458	5.41	19.47	0.75	0.86
27	A"	1526	1447	8.02	16.68	0.75	0.86
28	A"	1321	1253	0.45	11.78	0.75	0.86
29	A"	1210	1148	4.54	1.88	0.75	0.86
30	A"	1090	1033	6.66	0.85	0.75	0.86
31	A"	829	786	0.48	0.19	0.75	0.86
32	A"	607	576	5.91	1.43	0.75	0.86
33	A"	274	259	1.03	0.01	0.75	0.86
34	A"	156	148	4.35	0.01	0.75	0.86
35	A"	69	65	0.00	0.37	0.75	0.86
36	A"	56	53	0.87	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.031	0.000
C2	-0.908	-0.520	0.000
O3	0.000	0.484	0.000
O4	-0.609	-1.697	0.000
C5	1.384	0.066	0.000
C6	2.229	1.321	0.000
H7	-3.023	-0.793	0.000
H8	-2.467	0.658	0.881
H9	-2.467	0.658	-0.881
H10	1.565	-0.554	0.882
H11	1.565	-0.554	-0.882
H12	3.290	1.055	0.000
H13	2.025	1.926	-0.886
H14	2.025	1.926	0.886

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5077	2.3558	2.4256	3.6959	4.7210	1.0885	1.0925	1.0925	4.0189	4.0189	5.6947	4.8151	4.8151
C2	1.5077		1.3538	1.2143	2.3658	3.6380	2.1323	2.1433	2.1433	2.6263	2.6263	4.4840	3.9208	3.9208
O3	2.3558	1.3538		2.2642	1.4458	2.3815	3.2817	2.6256	2.6256	2.0747	2.0747	3.3392	2.6392	2.6392
O4	2.4256	1.2143	2.2642		2.6605	4.1431	2.5774	3.1262	3.1262	2.6102	2.6102	4.7726	4.5662	4.5662
C5	3.6959	2.3658	1.4458	2.6605		1.5137	4.4898	3.9949	3.9949	1.0926	1.0926	2.1477	2.1582	2.1582
C6	4.7210	3.6380	2.3815	4.1431	1.5137		5.6620	4.8245	4.8245	2.1755	2.1755	1.0933	1.0922	1.0922
H7	1.0885	2.1323	3.2817	2.5774	4.4898	5.6620		1.7862	1.7862	4.6785	4.6785	6.5780	5.8019	5.8019
H8	1.0925	2.1433	2.6256	3.1262	3.9949	4.8245	1.7862		1.7620	4.2107	4.5648	5.8378	4.9911	4.6679
H9	1.0925	2.1433	2.6256	3.1262	3.9949	4.8245	1.7862	1.7620		4.5648	4.2107	5.8378	4.6679	4.9911
H10	4.0189	2.6263	2.0747	2.6102	1.0926	2.1755	4.6785	4.2107	4.5648		1.7634	2.5179	3.0798	2.5220
H11	4.0189	2.6263	2.0747	2.6102	1.0926	2.1755	4.6785	4.5648	4.2107	1.7634		2.5179	2.5220	3.0798
H12	5.6947	4.4840	3.3392	4.7726	2.1477	1.0933	6.5780	5.8378	5.8378	2.5179	2.5179		1.7731	1.7731
H13	4.8151	3.9208	2.6392	4.5662	2.1582	1.0922	5.8019	4.9911	4.6679	3.0798	2.5220	1.7731		1.7720
H14	4.8151	3.9208	2.6392	4.5662	2.1582	1.0922	5.8019	4.6679	4.9911	2.5220	3.0798	1.7731	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.714	C1	C2	O4	125.684
C2	C1	H7	109.368	C2	C1	H8	110.008
C2	C1	H9	110.008	C2	O3	C5	115.320
O3	C2	O4	123.602	O3	C5	C6	107.140
O3	C5	H10	108.843	O3	C5	H11	108.843
C5	C6	H12	109.888	C5	C6	H13	110.789
C5	C6	H14	110.789	C6	C5	H10	112.164
C6	C5	H11	112.164	H7	C1	H8	109.971
H7	C1	H9	109.971	H8	C1	H9	107.495
H10	C5	H11	107.609	H12	C6	H13	108.439
H12	C6	H14	108.439	H13	C6	H14	108.424

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C4H8O2 (Ethyl acetate)

using model chemistry: B2PLYP=FULL/6-31G*

States and conformations

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