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	hartrees
Energy at 0K	-307.528657
Energy at 298.15K	-307.520216
HF Energy	-307.732573
Nuclear repulsion energy	243.434968

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'	3168	3057	7.40	61.94	0.67	0.81
2	A'	3120	3010	22.44	71.14	0.70	0.82
3	A'	3056	2949	3.62	98.42	0.00	0.01
4	A'	3051	2944	15.95	89.84	0.08	0.15
5	A'	3045	2939	15.48	114.37	0.01	0.01
6	A'	1824	1760	222.76	3.40	0.30	0.46
7	A'	1521	1467	5.29	1.00	0.73	0.84
8	A'	1496	1444	1.86	19.30	0.75	0.86
9	A'	1470	1418	11.67	13.33	0.71	0.83
10	A'	1423	1374	4.87	4.18	0.71	0.83
11	A'	1402	1353	27.16	1.20	0.75	0.86
12	A'	1387	1338	23.11	3.49	0.60	0.75
13	A'	1271	1226	401.62	0.38	0.22	0.36
14	A'	1136	1097	15.25	6.28	0.12	0.22
15	A'	1076	1038	103.63	2.42	0.75	0.85
16	A'	1010	975	7.07	1.35	0.18	0.31
17	A'	948	915	4.43	1.72	0.18	0.31
18	A'	861	831	7.39	8.83	0.31	0.47
19	A'	638	616	5.85	7.57	0.29	0.46
20	A'	424	409	0.78	0.35	0.68	0.81
21	A'	367	354	9.26	2.65	0.28	0.44
22	A'	191	185	4.74	0.29	0.62	0.77
23	A"	3125	3016	34.41	23.23	0.75	0.86
24	A"	3121	3012	4.99	54.14	0.75	0.86
25	A"	3088	2980	8.45	77.79	0.75	0.86
26	A"	1486	1434	4.49	15.91	0.75	0.86
27	A"	1476	1425	6.30	13.46	0.75	0.86
28	A"	1291	1246	0.94	8.76	0.75	0.86
29	A"	1183	1142	4.11	1.18	0.75	0.86
30	A"	1065	1027	6.35	0.26	0.75	0.86
31	A"	807	779	0.61	0.21	0.75	0.86
32	A"	608	587	4.81	0.96	0.75	0.86
33	A"	261	252	0.95	0.00	0.75	0.86
34	A"	153	147	3.62	0.02	0.75	0.86
35	A"	60	58	0.02	0.25	0.75	0.86
36	A"	49	47	0.75	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.032	0.000
C2	-0.907	-0.523	0.000
O3	0.000	0.476	0.000
O4	-0.614	-1.692	0.000
C5	1.383	0.067	0.000
C6	2.232	1.323	0.000
H7	-3.026	-0.790	0.000
H8	-2.467	0.662	0.881
H9	-2.467	0.662	-0.881
H10	1.569	-0.555	0.882
H11	1.569	-0.555	-0.882
H12	3.293	1.054	0.000
H13	2.031	1.931	-0.887
H14	2.031	1.931	0.887

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5104	2.3541	2.4198	3.6945	4.7242	1.0892	1.0937	1.0937	4.0221	4.0221	5.6973	4.8224	4.8224
C2	1.5104		1.3494	1.2052	2.3644	3.6421	2.1362	2.1476	2.1476	2.6280	2.6280	4.4864	3.9297	3.9297
O3	2.3541	1.3494		2.2532	1.4417	2.3878	3.2807	2.6259	2.6259	2.0734	2.0734	3.3434	2.6513	2.6513
O4	2.4198	1.2052	2.2532		2.6607	4.1463	2.5758	3.1225	3.1225	2.6139	2.6139	4.7753	4.5726	4.5726
C5	3.6945	2.3644	1.4417	2.6607		1.5165	4.4915	3.9933	3.9933	1.0946	1.0946	2.1504	2.1636	2.1636
C6	4.7242	3.6421	2.3878	4.1463	1.5165		5.6677	4.8266	4.8266	2.1779	2.1779	1.0941	1.0937	1.0937
H7	1.0892	2.1362	3.2807	2.5758	4.4915	5.6677		1.7880	1.7880	4.6847	4.6847	6.5831	5.8114	5.8114
H8	1.0937	2.1476	2.6259	3.1225	3.9933	4.8266	1.7880		1.7610	4.2147	4.5682	5.8400	4.9966	4.6738
H9	1.0937	2.1476	2.6259	3.1225	3.9933	4.8266	1.7880	1.7610		4.5682	4.2147	5.8400	4.6738	4.9966
H10	4.0221	2.6280	2.0734	2.6139	1.0946	2.1779	4.6847	4.2147	4.5682		1.7630	2.5177	3.0852	2.5284
H11	4.0221	2.6280	2.0734	2.6139	1.0946	2.1779	4.6847	4.5682	4.2147	1.7630		2.5177	2.5284	3.0852
H12	5.6973	4.4864	3.3434	4.7753	2.1504	1.0941	6.5831	5.8400	5.8400	2.5177	2.5177		1.7740	1.7740
H13	4.8224	3.9297	2.6513	4.5726	2.1636	1.0937	5.8114	4.9966	4.6738	3.0852	2.5284	1.7740		1.7730
H14	4.8224	3.9297	2.6513	4.5726	2.1636	1.0937	5.8114	4.6738	4.9966	2.5284	3.0852	1.7740	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.679	C1	C2	O4	125.648
C2	C1	H7	109.449	C2	C1	H8	110.093
C2	C1	H9	110.093	C2	O3	C5	115.806
O3	C2	O4	123.673	O3	C5	C6	107.612
O3	C5	H10	108.937	O3	C5	H11	108.937
C5	C6	H12	109.833	C5	C6	H13	110.923
C5	C6	H14	110.923	C6	C5	H10	112.013
C6	C5	H11	112.013	H7	C1	H8	109.982
H7	C1	H9	109.982	H8	C1	H9	107.218
H10	C5	H11	107.265	H12	C6	H13	108.385
H12	C6	H14	108.385	H13	C6	H14	108.312

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

using model chemistry: G4

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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Number	Element	Mulliken
1	C	-0.477
2	C	0.429
3	O	-0.239
4	O	-0.351
5	C	-0.038
6	C	-0.391
7	H	0.147
8	H	0.148
9	H	0.148
10	H	0.121
11	H	0.121
12	H	0.123
13	H	0.129
14	H	0.129

	x	y	z	Total
	0.282	1.916	0.000	1.937
CHELPG
AIM
ESP

<r²>	201.339
(<r²>)^1/2	14.189

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

using model chemistry: G4

States and conformations

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