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	hartrees
Energy at 0K	-307.045981
Energy at 298.15K
HF Energy	-305.953979
Nuclear repulsion energy	244.026435

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'	3229	3063	5.58	59.35	0.72	0.83
2	A'	3186	3023	19.33	67.56	0.73	0.85
3	A'	3109	2949	18.50	55.29	0.13	0.23
4	A'	3106	2947	0.67	158.05	0.01	0.02
5	A'	3094	2935	14.24	120.55	0.01	0.02
6	A'	1827	1733	201.63	5.63	0.39	0.56
7	A'	1545	1465	5.51	1.75	0.71	0.83
8	A'	1521	1443	2.67	15.35	0.74	0.85
9	A'	1493	1416	12.07	10.13	0.71	0.83
10	A'	1455	1381	4.99	2.75	0.53	0.69
11	A'	1420	1347	65.00	1.09	0.73	0.84
12	A'	1406	1333	32.79	1.19	0.73	0.84
13	A'	1293	1226	413.21	0.33	0.71	0.83
14	A'	1161	1102	11.43	7.56	0.14	0.25
15	A'	1113	1056	85.19	2.89	0.74	0.85
16	A'	1027	974	13.10	1.75	0.22	0.36
17	A'	969	920	6.92	2.22	0.20	0.33
18	A'	883	837	12.95	8.04	0.28	0.43
19	A'	651	617	7.86	7.82	0.33	0.50
20	A'	434	412	0.53	0.28	0.70	0.82
21	A'	378	359	8.92	2.80	0.32	0.49
22	A'	201	190	4.26	0.34	0.64	0.78
23	A"	3196	3032	29.36	25.03	0.75	0.86
24	A"	3193	3029	4.39	52.80	0.75	0.86
25	A"	3160	2997	10.47	75.53	0.75	0.86
26	A"	1505	1428	7.15	10.41	0.75	0.86
27	A"	1498	1421	8.77	10.54	0.75	0.86
28	A"	1324	1256	1.50	8.12	0.75	0.86
29	A"	1204	1142	4.01	0.64	0.75	0.86
30	A"	1074	1019	4.09	0.17	0.75	0.86
31	A"	828	785	0.28	0.17	0.75	0.86
32	A"	605	574	4.60	1.06	0.75	0.86
33	A"	277	262	1.00	0.03	0.75	0.86
34	A"	155	147	4.25	0.02	0.75	0.86
35	A"	78	74	0.10	0.26	0.75	0.86
36	A"	45	42	0.78	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.305	0.042	0.000
C2	-0.906	-0.514	0.000
O3	0.000	0.490	0.000
O4	-0.608	-1.685	0.000
C5	1.372	0.055	0.000
C6	2.230	1.300	0.000
H7	-3.020	-0.779	0.000
H8	-2.450	0.670	0.882
H9	-2.450	0.670	-0.882
H10	1.550	-0.564	0.883
H11	1.550	-0.564	-0.883
H12	3.287	1.022	0.000
H13	2.027	1.904	-0.887
H14	2.027	1.904	0.887

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5057	2.3483	2.4217	3.6768	4.7060	1.0884	1.0918	1.0918	4.0011	4.0011	5.6773	4.7983	4.7983
C2	1.5057		1.3518	1.2088	2.3472	3.6219	2.1307	2.1360	2.1360	2.6099	2.6099	4.4650	3.9030	3.9030
O3	2.3483	1.3518		2.2583	1.4388	2.3721	3.2755	2.6102	2.6102	2.0719	2.0719	3.3296	2.6260	2.6260
O4	2.4217	1.2088	2.2583		2.6354	4.1182	2.5767	3.1171	3.1171	2.5866	2.5866	4.7431	4.5399	4.5399
C5	3.6768	2.3472	1.4388	2.6354		1.5118	4.4698	3.9700	3.9700	1.0931	1.0931	2.1456	2.1528	2.1528
C6	4.7060	3.6219	2.3721	4.1182	1.5118		5.6459	4.8037	4.8037	2.1717	2.1717	1.0931	1.0918	1.0918
H7	1.0884	2.1307	3.2755	2.5767	4.4698	5.6459		1.7888	1.7888	4.6591	4.6591	6.5588	5.7842	5.7842
H8	1.0918	2.1360	2.6102	3.1171	3.9700	4.8037	1.7888		1.7633	4.1861	4.5428	5.8151	4.9699	4.6447
H9	1.0918	2.1360	2.6102	3.1171	3.9700	4.8037	1.7888	1.7633		4.5428	4.1861	5.8151	4.6447	4.9699
H10	4.0011	2.6099	2.0719	2.5866	1.0931	2.1717	4.6591	4.1861	4.5428		1.7656	2.5127	3.0743	2.5140
H11	4.0011	2.6099	2.0719	2.5866	1.0931	2.1717	4.6591	4.5428	4.1861	1.7656		2.5127	2.5140	3.0743
H12	5.6773	4.4650	3.3296	4.7431	2.1456	1.0931	6.5588	5.8151	5.8151	2.5127	2.5127		1.7748	1.7748
H13	4.7983	3.9030	2.6260	4.5399	2.1528	1.0918	5.7842	4.9699	4.6447	3.0743	2.5140	1.7748		1.7735
H14	4.7983	3.9030	2.6260	4.5399	2.1528	1.0918	5.7842	4.6447	4.9699	2.5140	3.0743	1.7748	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.418	C1	C2	O4	125.923
C2	C1	H7	109.384	C2	C1	H8	109.603
C2	C1	H9	109.603	C2	O3	C5	114.478
O3	C2	O4	123.659	O3	C5	C6	106.985
O3	C5	H10	109.071	O3	C5	H11	109.071
C5	C6	H12	109.864	C5	C6	H13	110.513
C5	C6	H14	110.513	C6	C5	H10	111.963
C6	C5	H11	111.963	H7	C1	H8	110.261
H7	C1	H9	110.261	H8	C1	H9	107.706
H10	C5	H11	107.733	H12	C6	H13	108.638
H12	C6	H14	108.638	H13	C6	H14	108.623

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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