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	hartrees
Energy at 0K	-306.846875
Energy at 298.15K
HF Energy	-305.887419
Nuclear repulsion energy	243.823385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3058	7.81
2	A'	3216	3016	23.80
3	A'	3142	2946	19.12
4	A'	3141	2945	0.23
5	A'	3129	2933	15.39
6	A'	1898	1780	225.15
7	A'	1585	1486	2.94
8	A'	1561	1463	2.00
9	A'	1537	1441	9.95
10	A'	1494	1401	3.98
11	A'	1467	1376	75.60
12	A'	1443	1353	10.02
13	A'	1343	1259	429.51
14	A'	1182	1109	18.45
15	A'	1134	1063	68.44
16	A'	1052	986	7.28
17	A'	983	921	6.04
18	A'	898	842	11.57
19	A'	657	616	10.35
20	A'	437	410	0.78
21	A'	380	357	9.78
22	A'	201	188	5.01
23	A"	3226	3025	35.62
24	A"	3223	3022	5.93
25	A"	3190	2991	12.39
26	A"	1549	1453	3.98
27	A"	1539	1443	6.30
28	A"	1335	1252	0.72
29	A"	1226	1150	4.78
30	A"	1102	1033	5.41
31	A"	836	784	0.05
32	A"	613	575	8.11
33	A"	276	259	1.05
34	A"	155	145	4.63
35	A"	86	80	0.14
36	A"	70	66	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.309	0.027	0.000
C2	-0.905	-0.519	0.000
O3	0.000	0.484	0.000
O4	-0.604	-1.691	0.000
C5	1.378	0.065	0.000
C6	2.224	1.320	0.000
H7	-3.015	-0.798	0.000
H8	-2.460	0.650	0.880
H9	-2.460	0.650	-0.880
H10	1.563	-0.551	0.880
H11	1.563	-0.551	-0.880
H12	3.281	1.055	0.000
H13	2.016	1.921	-0.884
H14	2.016	1.921	0.884

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5067	2.3540	2.4202	3.6875	4.7136	1.0852	1.0888	1.0888	4.0131	4.0131	5.6835	4.8040	4.8040
C2	1.5067		1.3511	1.2098	2.3564	3.6291	2.1284	2.1354	2.1354	2.6205	2.6205	4.4717	3.9076	3.9076
O3	2.3540	1.3511		2.2578	1.4407	2.3756	3.2760	2.6176	2.6176	2.0715	2.0715	3.3299	2.6290	2.6290
O4	2.4202	1.2098	2.2578		2.6482	4.1310	2.5709	3.1144	3.1144	2.6023	2.6023	4.7575	4.5495	4.5495
C5	3.6875	2.3564	1.4407	2.6482		1.5137	4.4769	3.9808	3.9808	1.0901	1.0901	2.1448	2.1530	2.1530
C6	4.7136	3.6291	2.3756	4.1310	1.5137		5.6504	4.8121	4.8121	2.1711	2.1711	1.0898	1.0888	1.0888
H7	1.0852	2.1284	3.2760	2.5709	4.4769	5.6504		1.7828	1.7828	4.6686	4.6686	6.5624	5.7866	5.7866
H8	1.0888	2.1354	2.6176	3.1144	3.9808	4.8121	1.7828		1.7595	4.1988	4.5527	5.8215	4.9759	4.6529
H9	1.0888	2.1354	2.6176	3.1144	3.9808	4.8121	1.7828	1.7595		4.5527	4.1988	5.8215	4.6529	4.9759
H10	4.0131	2.6205	2.0715	2.6023	1.0901	2.1711	4.6686	4.1988	4.5527		1.7600	2.5108	3.0709	2.5138
H11	4.0131	2.6205	2.0715	2.6023	1.0901	2.1711	4.6686	4.5527	4.1988	1.7600		2.5108	2.5138	3.0709
H12	5.6835	4.4717	3.3299	4.7575	2.1448	1.0898	6.5624	5.8215	5.8215	2.5108	2.5108		1.7693	1.7693
H13	4.8040	3.9076	2.6290	4.5495	2.1530	1.0888	5.7866	4.9759	4.6529	3.0709	2.5138	1.7693		1.7678
H14	4.8040	3.9076	2.6290	4.5495	2.1530	1.0888	5.7866	4.6529	4.9759	2.5138	3.0709	1.7693	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.792	C1	C2	O4	125.626
C2	C1	H7	109.327	C2	C1	H8	109.665
C2	C1	H9	109.665	C2	O3	C5	115.104
O3	C2	O4	123.582	O3	C5	C6	107.019
O3	C5	H10	109.094	O3	C5	H11	109.094
C5	C6	H12	109.863	C5	C6	H13	110.579
C5	C6	H14	110.579	C6	C5	H10	111.959
C6	C5	H11	111.959	H7	C1	H8	110.184
H7	C1	H9	110.184	H8	C1	H9	107.797
H10	C5	H11	107.664	H12	C6	H13	108.609
H12	C6	H14	108.609	H13	C6	H14	108.545

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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