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	hartrees
Energy at 0K	-306.852617
Energy at 298.15K
HF Energy	-305.892913
Nuclear repulsion energy	243.269741

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'	3273	3074	4.51	55.17	0.72	0.84
2	A'	3228	3032	18.23	64.57	0.74	0.85
3	A'	3149	2958	17.23	71.91	0.09	0.17
4	A'	3144	2953	1.88	148.87	0.00	0.01
5	A'	3132	2941	15.82	129.40	0.01	0.02
6	A'	1794	1685	239.28	12.81	0.26	0.42
7	A'	1564	1469	4.25	1.83	0.57	0.72
8	A'	1547	1453	3.96	11.75	0.72	0.84
9	A'	1523	1430	14.48	8.86	0.69	0.82
10	A'	1473	1383	5.37	3.12	0.62	0.76
11	A'	1447	1359	58.35	0.62	0.63	0.77
12	A'	1424	1338	7.63	1.98	0.72	0.83
13	A'	1301	1222	424.86	0.48	0.73	0.84
14	A'	1167	1096	6.18	8.21	0.14	0.24
15	A'	1108	1040	101.20	3.41	0.61	0.76
16	A'	1041	977	10.02	1.76	0.21	0.35
17	A'	969	910	10.45	2.28	0.24	0.39
18	A'	874	821	15.41	9.47	0.21	0.35
19	A'	643	604	6.89	7.87	0.26	0.42
20	A'	436	409	0.69	0.37	0.72	0.84
21	A'	372	350	8.25	2.87	0.25	0.40
22	A'	197	185	5.75	0.29	0.57	0.72
23	A"	3243	3046	26.73	23.05	0.75	0.86
24	A"	3239	3042	3.26	50.59	0.75	0.86
25	A"	3209	3014	7.75	69.35	0.75	0.86
26	A"	1533	1440	7.41	9.52	0.75	0.86
27	A"	1523	1430	9.29	8.02	0.75	0.86
28	A"	1319	1239	0.86	7.80	0.75	0.86
29	A"	1208	1135	3.83	1.10	0.75	0.86
30	A"	1086	1020	3.32	0.12	0.75	0.86
31	A"	832	781	0.18	0.31	0.75	0.86
32	A"	607	570	5.29	1.10	0.75	0.86
33	A"	275	258	1.09	0.02	0.75	0.86
34	A"	154	145	5.65	0.01	0.75	0.86
35	A"	68	64	0.20	0.41	0.75	0.86
36	A"	32	30	0.48	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.309	0.032	0.000
C2	-0.911	-0.517	0.000
O3	0.000	0.490	0.000
O4	-0.608	-1.700	0.000
C5	1.385	0.065	0.000
C6	2.226	1.317	0.000
H7	-3.016	-0.791	0.000
H8	-2.459	0.654	0.879
H9	-2.459	0.654	-0.879
H10	1.560	-0.549	0.882
H11	1.560	-0.549	-0.882
H12	3.282	1.049	0.000
H13	2.022	1.917	-0.884
H14	2.022	1.917	0.884

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5018	2.3542	2.4284	3.6949	4.7142	1.0843	1.0875	1.0875	4.0110	4.0110	5.6828	4.8057	4.8057
C2	1.5018		1.3578	1.2220	2.3693	3.6344	2.1222	2.1305	2.1305	2.6243	2.6243	4.4759	3.9126	3.9126
O3	2.3542	1.3578		2.2729	1.4491	2.3752	3.2763	2.6164	2.6164	2.0716	2.0716	3.3291	2.6280	2.6280
O4	2.4284	1.2220	2.2729		2.6625	4.1398	2.5745	3.1217	3.1217	2.6079	2.6079	4.7630	4.5586	4.5586
C5	3.6949	2.3693	1.4491	2.6625		1.5085	4.4837	3.9873	3.9873	1.0887	1.0887	2.1364	2.1485	2.1485
C6	4.7142	3.6344	2.3752	4.1398	1.5085		5.6501	4.8128	4.8128	2.1693	2.1693	1.0890	1.0874	1.0874
H7	1.0843	2.1222	3.2763	2.5745	4.4837	5.6501		1.7807	1.7807	4.6664	4.6664	6.5608	5.7872	5.7872
H8	1.0875	2.1305	2.6164	3.1217	3.9873	4.8128	1.7807		1.7584	4.1954	4.5499	5.8209	4.9779	4.6553
H9	1.0875	2.1305	2.6164	3.1217	3.9873	4.8128	1.7807	1.7584		4.5499	4.1954	5.8209	4.6553	4.9779
H10	4.0110	2.6243	2.0716	2.6079	1.0887	2.1693	4.6664	4.1954	4.5499		1.7633	2.5092	3.0681	2.5092
H11	4.0110	2.6243	2.0716	2.6079	1.0887	2.1693	4.6664	4.5499	4.1954	1.7633		2.5092	2.5092	3.0681
H12	5.6828	4.4759	3.3291	4.7630	2.1364	1.0890	6.5608	5.8209	5.8209	2.5092	2.5092		1.7668	1.7668
H13	4.8057	3.9126	2.6280	4.5586	2.1485	1.0874	5.7872	4.9779	4.6553	3.0681	2.5092	1.7668		1.7677
H14	4.8057	3.9126	2.6280	4.5586	2.1485	1.0874	5.7872	4.6553	4.9779	2.5092	3.0681	1.7668	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.726	C1	C2	O4	125.825
C2	C1	H7	109.236	C2	C1	H8	109.699
C2	C1	H9	109.699	C2	O3	C5	115.111
O3	C2	O4	123.449	O3	C5	C6	106.832
O3	C5	H10	108.595	O3	C5	H11	108.595
C5	C6	H12	109.612	C5	C6	H13	110.671
C5	C6	H14	110.671	C6	C5	H10	112.275
C6	C5	H11	112.275	H7	C1	H8	110.154
H7	C1	H9	110.154	H8	C1	H9	107.883
H10	C5	H11	108.153	H12	C6	H13	108.540
H12	C6	H14	108.540	H13	C6	H14	108.749

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

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