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	hartrees
Energy at 0K	-307.425706
Energy at 298.15K
HF Energy	-307.108923
Nuclear repulsion energy	242.935458

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'	3217	3217	5.97	60.76	0.70	0.82
2	A'	3166	3166	23.54	71.51	0.72	0.84
3	A'	3106	3106	17.27	84.67	0.09	0.16
4	A'	3100	3100	2.51	156.17	0.01	0.01
5	A'	3086	3086	18.20	136.91	0.01	0.02
6	A'	1789	1789	267.72	8.91	0.28	0.43
7	A'	1544	1544	5.23	1.65	0.64	0.78
8	A'	1526	1526	3.75	12.21	0.72	0.84
9	A'	1500	1500	15.32	8.66	0.68	0.81
10	A'	1454	1454	5.24	3.23	0.68	0.81
11	A'	1429	1429	53.04	0.64	0.74	0.85
12	A'	1410	1410	7.92	2.02	0.74	0.85
13	A'	1286	1286	423.15	0.86	0.53	0.69
14	A'	1152	1152	9.17	7.79	0.13	0.24
15	A'	1086	1086	114.26	3.13	0.69	0.82
16	A'	1027	1027	6.04	1.60	0.23	0.38
17	A'	957	957	8.95	2.29	0.21	0.35
18	A'	865	865	12.31	9.33	0.24	0.39
19	A'	638	638	6.14	8.45	0.26	0.41
20	A'	432	432	0.87	0.40	0.70	0.82
21	A'	369	369	8.66	3.20	0.25	0.40
22	A'	194	194	5.98	0.29	0.57	0.72
23	A"	3179	3179	37.22	14.88	0.75	0.86
24	A"	3175	3175	4.44	55.14	0.75	0.86
25	A"	3153	3153	3.57	88.14	0.75	0.86
26	A"	1513	1513	7.56	9.65	0.75	0.86
27	A"	1504	1504	9.68	7.87	0.75	0.86
28	A"	1308	1308	0.93	8.07	0.75	0.86
29	A"	1195	1195	3.91	0.88	0.75	0.86
30	A"	1078	1078	4.76	0.08	0.75	0.86
31	A"	822	822	0.34	0.31	0.75	0.86
32	A"	607	607	5.69	1.04	0.75	0.86
33	A"	268	268	1.09	0.02	0.75	0.86
34	A"	154	154	5.48	0.01	0.75	0.86
35	A"	65	65	0.30	0.41	0.75	0.86
36	A"	33	33	0.44	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.315	0.024	0.000
C2	-0.912	-0.522	0.000
O3	0.000	0.480	0.000
O4	-0.610	-1.701	0.000
C5	1.391	0.071	0.000
C6	2.229	1.331	0.000
H7	-3.022	-0.801	0.000
H8	-2.470	0.649	0.880
H9	-2.470	0.649	-0.880
H10	1.572	-0.544	0.882
H11	1.572	-0.544	-0.882
H12	3.289	1.065	0.000
H13	2.025	1.934	-0.886
H14	2.025	1.934	0.886

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5058	2.3594	2.4255	3.7059	4.7283	1.0868	1.0908	1.0908	4.0257	4.0257	5.6993	4.8237	4.8237
C2	1.5058		1.3547	1.2175	2.3774	3.6463	2.1289	2.1388	2.1388	2.6353	2.6353	4.4899	3.9292	3.9292
O3	2.3594	1.3547		2.2655	1.4496	2.3859	3.2825	2.6275	2.6275	2.0733	2.0733	3.3401	2.6455	2.6455
O4	2.4255	1.2175	2.2655		2.6732	4.1540	2.5742	3.1239	3.1239	2.6225	2.6225	4.7807	4.5766	4.5766
C5	3.7059	2.3774	1.4496	2.6732		1.5130	4.4981	4.0016	4.0016	1.0911	1.0911	2.1424	2.1578	2.1578
C6	4.7283	3.6463	2.3859	4.1540	1.5130		5.6675	4.8292	4.8292	2.1741	2.1741	1.0920	1.0908	1.0908
H7	1.0868	2.1289	3.2825	2.5742	4.4981	5.6675		1.7843	1.7843	4.6846	4.6846	6.5808	5.8086	5.8086
H8	1.0908	2.1388	2.6275	3.1239	4.0016	4.8292	1.7843		1.7607	4.2140	4.5678	5.8402	4.9975	4.6751
H9	1.0908	2.1388	2.6275	3.1239	4.0016	4.8292	1.7843	1.7607		4.5678	4.2140	5.8402	4.6751	4.9975
H10	4.0257	2.6353	2.0733	2.6225	1.0911	2.1741	4.6846	4.2140	4.5678		1.7649	2.5135	3.0778	2.5194
H11	4.0257	2.6353	2.0733	2.6225	1.0911	2.1741	4.6846	4.5678	4.2140	1.7649		2.5135	2.5194	3.0778
H12	5.6993	4.4899	3.3401	4.7807	2.1424	1.0920	6.5808	5.8402	5.8402	2.5135	2.5135		1.7705	1.7705
H13	4.8237	3.9292	2.6455	4.5766	2.1578	1.0908	5.8086	4.9975	4.6751	3.0778	2.5194	1.7705		1.7711
H14	4.8237	3.9292	2.6455	4.5766	2.1578	1.0908	5.8086	4.6751	4.9975	2.5194	3.0778	1.7705	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.037	C1	C2	O4	125.580
C2	C1	H7	109.334	C2	C1	H8	109.888
C2	C1	H9	109.888	C2	O3	C5	115.899
O3	C2	O4	123.384	O3	C5	C6	107.271
O3	C5	H10	108.556	O3	C5	H11	108.556
C5	C6	H12	109.600	C5	C6	H13	110.895
C5	C6	H14	110.895	C6	C5	H10	112.195
C6	C5	H11	112.195	H7	C1	H8	110.046
H7	C1	H9	110.046	H8	C1	H9	107.621
H10	C5	H11	107.958	H12	C6	H13	108.413
H12	C6	H14	108.413	H13	C6	H14	108.553

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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