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	hartrees
Energy at 0K	-307.032754
Energy at 298.15K
HF Energy	-305.908690
Nuclear repulsion energy	245.094120

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'	3262	3066	2.67	52.99	0.72	0.83
2	A'	3225	3032	10.70	59.79	0.73	0.85
3	A'	3137	2948	2.00	73.92	0.00	0.00
4	A'	3134	2945	11.32	83.97	0.07	0.14
5	A'	3128	2940	9.11	108.08	0.01	0.01
6	A'	1839	1728	189.74	5.32	0.29	0.45
7	A'	1557	1463	5.96	0.56	0.75	0.86
8	A'	1538	1446	2.02	17.70	0.75	0.86
9	A'	1509	1419	12.82	12.43	0.72	0.84
10	A'	1455	1367	6.41	2.89	0.75	0.85
11	A'	1430	1344	65.58	1.33	0.75	0.86
12	A'	1410	1325	18.81	1.78	0.62	0.77
13	A'	1308	1229	383.61	0.32	0.65	0.79
14	A'	1165	1095	14.07	7.17	0.11	0.20
15	A'	1122	1055	76.22	2.53	0.73	0.85
16	A'	1035	973	9.11	1.32	0.16	0.28
17	A'	977	918	4.88	1.98	0.19	0.32
18	A'	885	831	8.56	8.98	0.26	0.41
19	A'	653	614	7.51	6.84	0.30	0.46
20	A'	431	405	0.56	0.26	0.73	0.84
21	A'	376	353	9.71	2.20	0.28	0.44
22	A'	199	187	4.64	0.27	0.60	0.75
23	A"	3234	3040	15.17	26.85	0.75	0.86
24	A"	3228	3034	1.39	48.20	0.75	0.86
25	A"	3190	2998	9.26	57.13	0.75	0.86
26	A"	1530	1438	5.61	14.87	0.75	0.86
27	A"	1518	1427	7.38	12.12	0.75	0.86
28	A"	1328	1249	0.85	7.62	0.75	0.86
29	A"	1208	1135	4.25	1.15	0.75	0.86
30	A"	1089	1023	6.36	0.21	0.75	0.86
31	A"	827	777	0.85	0.21	0.75	0.86
32	A"	627	590	4.07	0.94	0.75	0.86
33	A"	280	263	0.93	0.00	0.75	0.86
34	A"	160	151	3.87	0.02	0.75	0.86
35	A"	81	76	0.03	0.21	0.75	0.86
36	A"	69	65	0.66	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.292	0.050	0.000
C2	-0.901	-0.508	0.000
O3	0.000	0.490	0.000
O4	-0.608	-1.678	0.000
C5	1.363	0.048	0.000
C6	2.221	1.288	0.000
H7	-3.009	-0.763	0.000
H8	-2.436	0.677	0.878
H9	-2.436	0.677	-0.878
H10	1.538	-0.573	0.879
H11	1.538	-0.573	-0.879
H12	3.274	1.013	0.000
H13	2.020	1.891	-0.883
H14	2.020	1.891	0.883

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4988	2.3334	2.4129	3.6550	4.6787	1.0846	1.0880	1.0880	3.9780	3.9780	5.6484	4.7705	4.7705
C2	1.4988		1.3441	1.2062	2.3311	3.6007	2.1242	2.1286	2.1286	2.5927	2.5927	4.4431	3.8811	3.8811
O3	2.3334	1.3441		2.2515	1.4334	2.3595	3.2598	2.5959	2.5959	2.0655	2.0655	3.3156	2.6119	2.6119
O4	2.4129	1.2062	2.2515		2.6197	4.0979	2.5702	3.1076	3.1076	2.5684	2.5684	4.7233	4.5188	4.5188
C5	3.6550	2.3311	1.4334	2.6197		1.5073	4.4473	3.9498	3.9498	1.0896	1.0896	2.1408	2.1464	2.1464
C6	4.6787	3.6007	2.3595	4.0979	1.5073		5.6176	4.7777	4.7777	2.1676	2.1676	1.0887	1.0877	1.0877
H7	1.0846	2.1242	3.2598	2.5702	4.4473	5.6176		1.7809	1.7809	4.6352	4.6352	6.5297	5.7548	5.7548
H8	1.0880	2.1286	2.5959	3.1076	3.9498	4.7777	1.7809		1.7556	4.1654	4.5207	5.7869	4.9427	4.6185
H9	1.0880	2.1286	2.5959	3.1076	3.9498	4.7777	1.7809	1.7556		4.5207	4.1654	5.7869	4.6185	4.9427
H10	3.9780	2.5927	2.0655	2.5684	1.0896	2.1676	4.6352	4.1654	4.5207		1.7574	2.5102	3.0664	2.5099
H11	3.9780	2.5927	2.0655	2.5684	1.0896	2.1676	4.6352	4.5207	4.1654	1.7574		2.5102	2.5099	3.0664
H12	5.6484	4.4431	3.3156	4.7233	2.1408	1.0887	6.5297	5.7869	5.7869	2.5102	2.5102		1.7668	1.7668
H13	4.7705	3.8811	2.6119	4.5188	2.1464	1.0877	5.7548	4.9427	4.6185	3.0664	2.5099	1.7668		1.7657
H14	4.7705	3.8811	2.6119	4.5188	2.1464	1.0877	5.7548	4.6185	4.9427	2.5099	3.0664	1.7668	1.7657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.206	C1	C2	O4	125.914
C2	C1	H7	109.580	C2	C1	H8	109.724
C2	C1	H9	109.724	C2	O3	C5	114.090
O3	C2	O4	123.880	O3	C5	C6	106.683
O3	C5	H10	109.143	O3	C5	H11	109.143
C5	C6	H12	110.059	C5	C6	H13	110.563
C5	C6	H14	110.563	C6	C5	H10	112.160
C6	C5	H11	112.160	H7	C1	H8	110.111
H7	C1	H9	110.111	H8	C1	H9	107.565
H10	C5	H11	107.500	H12	C6	H13	108.540
H12	C6	H14	108.540	H13	C6	H14	108.514

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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