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	hartrees
Energy at 0K	-58.481602
Energy at 298.15K
HF Energy	-57.876178
Nuclear repulsion energy	132.292402

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'	3136	3061	12.94	58.07	0.74	0.85
2	A'	3086	3012	35.55	65.84	0.75	0.85
3	A'	3016	2943	19.92	108.23	0.07	0.14
4	A'	3002	2930	7.65	141.30	0.00	0.00
5	A'	2982	2910	25.78	122.78	0.02	0.04
6	A'	1620	1581	141.85	7.34	0.37	0.54
7	A'	1538	1501	6.38	1.50	0.53	0.69
8	A'	1522	1486	4.40	20.83	0.73	0.84
9	A'	1508	1472	28.58	14.91	0.68	0.81
10	A'	1457	1423	7.66	2.72	0.70	0.83
11	A'	1450	1415	28.00	2.02	0.73	0.85
12	A'	1413	1380	5.88	3.42	0.74	0.85
13	A'	1236	1206	365.85	0.76	0.28	0.44
14	A'	1135	1108	2.24	11.59	0.17	0.29
15	A'	1051	1025	169.27	6.82	0.41	0.58
16	A'	1020	995	7.71	4.54	0.34	0.50
17	A'	906	885	43.43	2.31	0.59	0.74
18	A'	795	776	22.78	17.19	0.21	0.35
19	A'	605	590	8.36	12.17	0.33	0.49
20	A'	409	399	0.39	0.92	0.64	0.78
21	A'	347	339	7.73	4.59	0.33	0.50
22	A'	181	177	5.84	0.42	0.65	0.79
23	A"	3111	3037	60.36	10.25	0.75	0.86
24	A"	3107	3032	10.23	51.09	0.75	0.86
25	A"	3084	3010	2.95	86.35	0.75	0.86
26	A"	1513	1476	6.95	13.56	0.75	0.86
27	A"	1498	1462	11.26	13.43	0.75	0.86
28	A"	1277	1247	0.05	11.33	0.75	0.86
29	A"	1178	1150	5.21	5.33	0.75	0.86
30	A"	1085	1059	2.64	1.18	0.75	0.86
31	A"	818	799	0.27	0.15	0.75	0.86
32	A"	554	541	5.88	1.71	0.75	0.86
33	A"	250	244	1.86	0.04	0.75	0.86
34	A"	146	143	8.20	0.00	0.75	0.86
35	A"	62	61	0.10	0.49	0.75	0.86
36	A"	47	46	1.04	0.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.377	0.007	0.000
C2	-0.949	-0.545	0.000
O3	0.000	0.504	0.000
O4	-0.614	-1.767	0.000
C5	1.452	0.082	0.000
C6	2.270	1.391	0.000
H7	-3.082	-0.834	0.000
H8	-2.533	0.634	0.891
H9	-2.533	0.634	-0.891
H10	1.628	-0.532	0.897
H11	1.628	-0.532	-0.897
H12	3.347	1.150	0.000
H13	2.040	1.988	-0.895
H14	2.040	1.988	0.895

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5310	2.4281	2.5003	3.8297	4.8483	1.0973	1.1003	1.1003	4.1394	4.1394	5.8369	4.9225	4.9225
C2	1.5310		1.4142	1.2664	2.4814	3.7559	2.1527	2.1664	2.1664	2.7286	2.7286	4.6182	4.0185	4.0185
O3	2.4281	1.4142		2.3518	1.5121	2.4371	3.3596	2.6882	2.6882	2.1280	2.1280	3.4089	2.6768	2.6768
O4	2.5003	1.2664	2.3518		2.7726	4.2763	2.6380	3.1995	3.1995	2.7124	2.7124	4.9193	4.6840	4.6840
C5	3.8297	2.4814	1.5121	2.7726		1.5431	4.6257	4.1206	4.1206	1.1013	1.1013	2.1752	2.1860	2.1860
C6	4.8483	3.7559	2.4371	4.2763	1.5431		5.7958	4.9431	4.9431	2.2166	2.2166	1.1036	1.1006	1.1006
H7	1.0973	2.1527	3.3596	2.6380	4.6257	5.7958		1.8025	1.8025	4.8043	4.8043	6.7282	5.9157	5.9157
H8	1.1003	2.1664	2.6882	3.1995	4.1206	4.9431	1.8025		1.7811	4.3216	4.6767	5.9695	5.0925	4.7690
H9	1.1003	2.1664	2.6882	3.1995	4.1206	4.9431	1.8025	1.7811		4.6767	4.3216	5.9695	4.7690	5.0925
H10	4.1394	2.7286	2.1280	2.7124	1.1013	2.2166	4.8043	4.3216	4.6767		1.7940	2.5669	3.1195	2.5531
H11	4.1394	2.7286	2.1280	2.7124	1.1013	2.2166	4.8043	4.6767	4.3216	1.7940		2.5669	2.5531	3.1195
H12	5.8369	4.6182	3.4089	4.9193	2.1752	1.1036	6.7282	5.9695	5.9695	2.5669	2.5669		1.7922	1.7922
H13	4.9225	4.0185	2.6768	4.6840	2.1860	1.1006	5.9157	5.0925	4.7690	3.1195	2.5531	1.7922		1.7909
H14	4.9225	4.0185	2.6768	4.6840	2.1860	1.1006	5.9157	4.7690	5.0925	2.5531	3.1195	1.7922	1.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.002	C1	C2	O4	126.446
C2	C1	H7	108.854	C2	C1	H8	109.752
C2	C1	H9	109.752	C2	O3	C5	115.950
O3	C2	O4	122.552	O3	C5	C6	105.817
O3	C5	H10	108.000	O3	C5	H11	108.000
C5	C6	H12	109.425	C5	C6	H13	110.439
C5	C6	H14	110.439	C6	C5	H10	112.842
C6	C5	H11	112.842	H7	C1	H8	110.205
H7	C1	H9	110.205	H8	C1	H9	108.066
H10	C5	H11	109.077	H12	C6	H13	108.797
H12	C6	H14	108.797	H13	C6	H14	108.905

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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