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	hartrees
Energy at 0K	-306.825365
Energy at 298.15K
HF Energy	-305.892573
Nuclear repulsion energy	243.003122

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'	3269	3075	4.65	55.57	0.72	0.84
2	A'	3224	3033	18.60	64.89	0.74	0.85
3	A'	3146	2960	17.18	73.41	0.09	0.17
4	A'	3141	2955	2.04	148.13	0.00	0.01
5	A'	3129	2943	15.99	130.12	0.01	0.02
6	A'	1790	1684	238.21	12.81	0.27	0.42
7	A'	1562	1469	4.05	1.87	0.56	0.72
8	A'	1545	1453	3.92	11.74	0.72	0.84
9	A'	1521	1430	14.40	8.92	0.69	0.82
10	A'	1470	1383	5.25	3.15	0.62	0.76
11	A'	1444	1359	56.95	0.61	0.62	0.77
12	A'	1422	1337	7.45	1.99	0.72	0.83
13	A'	1298	1221	424.74	0.49	0.73	0.84
14	A'	1165	1096	6.00	8.31	0.14	0.24
15	A'	1105	1039	103.19	3.50	0.61	0.76
16	A'	1039	977	10.21	1.77	0.21	0.35
17	A'	967	910	11.06	2.28	0.24	0.39
18	A'	872	820	15.48	9.61	0.21	0.35
19	A'	642	604	6.90	7.96	0.26	0.42
20	A'	435	409	0.69	0.38	0.72	0.84
21	A'	372	350	8.23	2.90	0.25	0.40
22	A'	197	185	5.73	0.29	0.57	0.73
23	A"	3239	3047	27.41	22.50	0.75	0.86
24	A"	3235	3043	3.40	50.88	0.75	0.86
25	A"	3206	3016	7.53	70.32	0.75	0.86
26	A"	1531	1440	7.27	9.54	0.75	0.86
27	A"	1520	1430	9.14	8.08	0.75	0.86
28	A"	1315	1237	0.82	7.79	0.75	0.86
29	A"	1206	1134	3.82	1.17	0.75	0.86
30	A"	1083	1019	3.19	0.13	0.75	0.86
31	A"	830	781	0.16	0.31	0.75	0.86
32	A"	603	567	5.33	1.11	0.75	0.86
33	A"	273	257	1.08	0.02	0.75	0.86
34	A"	153	144	5.68	0.01	0.75	0.86
35	A"	64	60	0.20	0.41	0.75	0.86
36	A"	26	25	0.48	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.032	0.000
C2	-0.913	-0.517	0.000
O3	0.000	0.491	0.000
O4	-0.609	-1.702	0.000
C5	1.387	0.064	0.000
C6	2.230	1.317	0.000
H7	-3.019	-0.791	0.000
H8	-2.462	0.655	0.880
H9	-2.462	0.655	-0.880
H10	1.561	-0.551	0.883
H11	1.561	-0.551	-0.883
H12	3.286	1.047	0.000
H13	2.026	1.918	-0.885
H14	2.026	1.918	0.885

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5036	2.3572	2.4309	3.6993	4.7202	1.0854	1.0887	1.0887	4.0152	4.0152	5.6894	4.8120	4.8120
C2	1.5036		1.3595	1.2231	2.3718	3.6385	2.1242	2.1329	2.1329	2.6267	2.6267	4.4804	3.9171	3.9171
O3	2.3572	1.3595		2.2753	1.4510	2.3780	3.2799	2.6196	2.6196	2.0739	2.0739	3.3327	2.6311	2.6311
O4	2.4309	1.2231	2.2753		2.6647	4.1438	2.5765	3.1248	3.1248	2.6100	2.6100	4.7670	4.5631	4.5631
C5	3.6993	2.3718	1.4510	2.6647		1.5102	4.4883	3.9922	3.9922	1.0898	1.0898	2.1383	2.1508	2.1508
C6	4.7202	3.6385	2.3780	4.1438	1.5102		5.6565	4.8191	4.8191	2.1716	2.1716	1.0902	1.0885	1.0885
H7	1.0854	2.1242	3.2799	2.5765	4.4883	5.6565		1.7827	1.7827	4.6707	4.6707	6.5675	5.7941	5.7941
H8	1.0887	2.1329	2.6196	3.1248	3.9922	4.8191	1.7827		1.7604	4.1999	4.5549	5.8280	4.9847	4.6617
H9	1.0887	2.1329	2.6196	3.1248	3.9922	4.8191	1.7827	1.7604		4.5549	4.1999	5.8280	4.6617	4.9847
H10	4.0152	2.6267	2.0739	2.6100	1.0898	2.1716	4.6707	4.1999	4.5549		1.7654	2.5114	3.0713	2.5116
H11	4.0152	2.6267	2.0739	2.6100	1.0898	2.1716	4.6707	4.5549	4.1999	1.7654		2.5114	2.5116	3.0713
H12	5.6894	4.4804	3.3327	4.7670	2.1383	1.0902	6.5675	5.8280	5.8280	2.5114	2.5114		1.7688	1.7688
H13	4.8120	3.9171	2.6311	4.5631	2.1508	1.0885	5.7941	4.9847	4.6617	3.0713	2.5116	1.7688		1.7698
H14	4.8120	3.9171	2.6311	4.5631	2.1508	1.0885	5.7941	4.6617	4.9847	2.5116	3.0713	1.7688	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.733	C1	C2	O4	125.819
C2	C1	H7	109.200	C2	C1	H8	109.695
C2	C1	H9	109.695	C2	O3	C5	115.071
O3	C2	O4	123.447	O3	C5	C6	106.830
O3	C5	H10	108.582	O3	C5	H11	108.582
C5	C6	H12	109.578	C5	C6	H13	110.669
C5	C6	H14	110.669	C6	C5	H10	112.273
C6	C5	H11	112.273	H7	C1	H8	110.168
H7	C1	H9	110.168	H8	C1	H9	107.899
H10	C5	H11	108.182	H12	C6	H13	108.551
H12	C6	H14	108.551	H13	C6	H14	108.767

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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