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	hartrees
Energy at 0K	-307.410473
Energy at 298.15K
HF Energy	-307.098555
Nuclear repulsion energy	243.349639

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'	3225	3225	6.92	62.39	0.69	0.82
2	A'	3177	3177	22.54	69.33	0.73	0.84
3	A'	3106	3106	8.54	46.38	0.00	0.00
4	A'	3105	3105	10.76	148.30	0.05	0.10
5	A'	3095	3095	15.22	104.06	0.01	0.02
6	A'	1826	1826	208.95	3.59	0.38	0.55
7	A'	1557	1557	4.28	0.99	0.74	0.85
8	A'	1537	1537	2.20	22.46	0.75	0.86
9	A'	1509	1509	11.85	14.56	0.73	0.85
10	A'	1462	1462	4.54	5.32	0.74	0.85
11	A'	1435	1435	51.31	2.32	0.74	0.85
12	A'	1415	1415	11.86	2.97	0.62	0.76
13	A'	1298	1298	411.81	0.33	0.25	0.39
14	A'	1158	1158	14.05	6.79	0.16	0.28
15	A'	1096	1096	99.36	2.99	0.73	0.84
16	A'	1030	1030	6.34	1.51	0.25	0.40
17	A'	961	961	6.12	1.95	0.23	0.37
18	A'	873	873	9.97	10.27	0.31	0.47
19	A'	643	643	7.04	8.00	0.32	0.49
20	A'	431	431	0.76	0.39	0.70	0.82
21	A'	372	372	9.66	2.77	0.32	0.48
22	A'	196	196	5.03	0.28	0.64	0.78
23	A"	3186	3186	34.37	24.77	0.75	0.86
24	A"	3182	3182	5.41	54.89	0.75	0.86
25	A"	3152	3152	10.19	76.43	0.75	0.86
26	A"	1525	1525	4.85	18.66	0.75	0.86
27	A"	1515	1515	7.38	15.95	0.75	0.86
28	A"	1314	1314	0.56	11.00	0.75	0.86
29	A"	1204	1204	4.45	1.75	0.75	0.86
30	A"	1081	1081	6.30	0.69	0.75	0.86
31	A"	824	824	0.45	0.18	0.75	0.86
32	A"	604	604	5.91	1.38	0.75	0.86
33	A"	273	273	1.02	0.01	0.75	0.86
34	A"	156	156	4.30	0.01	0.75	0.86
35	A"	67	67	0.00	0.33	0.75	0.86
36	A"	56	56	0.87	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.311	0.033	0.000
C2	-0.909	-0.519	0.000
O3	0.000	0.485	0.000
O4	-0.610	-1.695	0.000
C5	1.382	0.064	0.000
C6	2.231	1.317	0.000
H7	-3.022	-0.789	0.000
H8	-2.464	0.659	0.879
H9	-2.464	0.659	-0.879
H10	1.563	-0.555	0.880
H11	1.563	-0.555	-0.880
H12	3.288	1.048	0.000
H13	2.028	1.921	-0.884
H14	2.028	1.921	0.884

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5069	2.3550	2.4252	3.6938	4.7197	1.0863	1.0903	1.0903	4.0163	4.0163	5.6905	4.8144	4.8144
C2	1.5069		1.3539	1.2141	2.3642	3.6365	2.1299	2.1401	2.1401	2.6242	2.6242	4.4798	3.9194	3.9194
O3	2.3550	1.3539		2.2641	1.4451	2.3806	3.2790	2.6222	2.6222	2.0737	2.0737	3.3360	2.6380	2.6380
O4	2.4252	1.2141	2.2641		2.6581	4.1402	2.5763	3.1234	3.1234	2.6071	2.6071	4.7667	4.5631	4.5631
C5	3.6938	2.3642	1.4451	2.6581		1.5127	4.4858	3.9906	3.9906	1.0912	1.0912	2.1446	2.1560	2.1560
C6	4.7197	3.6365	2.3806	4.1402	1.5127		5.6584	4.8215	4.8215	2.1735	2.1735	1.0911	1.0902	1.0902
H7	1.0863	2.1299	3.2790	2.5763	4.4858	5.6584		1.7835	1.7835	4.6742	4.6742	6.5715	5.7989	5.7989
H8	1.0903	2.1401	2.6222	3.1234	3.9906	4.8215	1.7835		1.7586	4.2065	4.5596	5.8321	4.9886	4.6664
H9	1.0903	2.1401	2.6222	3.1234	3.9906	4.8215	1.7835	1.7586		4.5596	4.2065	5.8321	4.6664	4.9886
H10	4.0163	2.6242	2.0737	2.6071	1.0912	2.1735	4.6742	4.2065	4.5596		1.7603	2.5141	3.0761	2.5197
H11	4.0163	2.6242	2.0737	2.6071	1.0912	2.1735	4.6742	4.5596	4.2065	1.7603		2.5141	2.5197	3.0761
H12	5.6905	4.4798	3.3360	4.7667	2.1446	1.0911	6.5715	5.8321	5.8321	2.5141	2.5141		1.7697	1.7697
H13	4.8144	3.9194	2.6380	4.5631	2.1560	1.0902	5.7989	4.9886	4.6664	3.0761	2.5197	1.7697		1.7688
H14	4.8144	3.9194	2.6380	4.5631	2.1560	1.0902	5.7989	4.6664	4.9886	2.5197	3.0761	1.7697	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.691	C1	C2	O4	125.723
C2	C1	H7	109.365	C2	C1	H8	109.930
C2	C1	H9	109.930	C2	O3	C5	115.230
O3	C2	O4	123.586	O3	C5	C6	107.168
O3	C5	H10	108.883	O3	C5	H11	108.883
C5	C6	H12	109.845	C5	C6	H13	110.801
C5	C6	H14	110.801	C6	C5	H10	112.156
C6	C5	H11	112.156	H7	C1	H8	110.045
H7	C1	H9	110.045	H8	C1	H9	107.506
H10	C5	H11	107.521	H12	C6	H13	108.446
H12	C6	H14	108.446	H13	C6	H14	108.432

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)