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	hartrees
Energy at 0K	-307.526534
Energy at 298.15K
HF Energy	-307.170225
Nuclear repulsion energy	243.604905

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'	3190	3190	7.91	64.63	0.69	0.82
2	A'	3140	3140	26.22	73.84	0.72	0.83
3	A'	3080	3080	18.72	64.05	0.12	0.22
4	A'	3078	3078	1.04	165.21	0.01	0.02
5	A'	3065	3065	16.92	126.27	0.01	0.02
6	A'	1807	1807	229.80	3.61	0.41	0.58
7	A'	1539	1539	5.51	1.89	0.74	0.85
8	A'	1516	1516	3.03	15.54	0.75	0.85
9	A'	1488	1488	13.85	10.19	0.70	0.82
10	A'	1446	1446	5.96	2.90	0.66	0.79
11	A'	1417	1417	46.12	0.82	0.75	0.85
12	A'	1403	1403	24.89	1.83	0.75	0.86
13	A'	1277	1277	414.68	0.48	0.42	0.59
14	A'	1150	1150	12.03	6.84	0.15	0.26
15	A'	1085	1085	114.28	2.80	0.74	0.85
16	A'	1021	1021	9.27	1.76	0.24	0.39
17	A'	956	956	7.79	1.97	0.17	0.29
18	A'	870	870	11.22	8.41	0.30	0.46
19	A'	644	644	6.75	8.30	0.33	0.49
20	A'	431	431	0.69	0.33	0.66	0.79
21	A'	372	372	9.34	3.13	0.32	0.48
22	A'	196	196	4.67	0.35	0.65	0.79
23	A"	3151	3151	41.95	17.64	0.75	0.86
24	A"	3147	3147	5.94	56.42	0.75	0.86
25	A"	3120	3120	5.88	92.71	0.75	0.86
26	A"	1501	1501	7.18	10.95	0.75	0.86
27	A"	1492	1492	9.11	10.37	0.75	0.86
28	A"	1311	1311	1.23	7.91	0.75	0.86
29	A"	1195	1195	4.10	0.79	0.75	0.86
30	A"	1073	1073	5.22	0.14	0.75	0.86
31	A"	821	821	0.47	0.16	0.75	0.86
32	A"	606	606	5.27	1.03	0.75	0.86
33	A"	269	269	1.08	0.03	0.75	0.86
34	A"	154	154	4.44	0.02	0.75	0.86
35	A"	66	66	0.18	0.25	0.75	0.86
36	A"	45	45	0.79	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.310	0.031	0.000
C2	-0.908	-0.521	0.000
O3	0.000	0.480	0.000
O4	-0.610	-1.691	0.000
C5	1.384	0.065	0.000
C6	2.227	1.321	0.000
H7	-3.021	-0.791	0.000
H8	-2.460	0.658	0.880
H9	-2.460	0.658	-0.880
H10	1.566	-0.553	0.881
H11	1.566	-0.553	-0.881
H12	3.287	1.056	0.000
H13	2.022	1.924	-0.885
H14	2.022	1.924	0.885

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5066	2.3530	2.4192	3.6934	4.7168	1.0869	1.0910	1.0910	4.0173	4.0173	5.6896	4.8093	4.8093
C2	1.5066		1.3517	1.2072	2.3652	3.6363	2.1305	2.1386	2.1386	2.6265	2.6265	4.4814	3.9175	3.9175
O3	2.3530	1.3517		2.2557	1.4446	2.3807	3.2777	2.6185	2.6185	2.0728	2.0728	3.3369	2.6375	2.6375
O4	2.4192	1.2072	2.2557		2.6572	4.1384	2.5733	3.1166	3.1166	2.6099	2.6099	4.7683	4.5590	4.5590
C5	3.6934	2.3652	1.4446	2.6572		1.5130	4.4871	3.9871	3.9871	1.0915	1.0915	2.1459	2.1560	2.1560
C6	4.7168	3.6363	2.3807	4.1384	1.5130		5.6574	4.8149	4.8149	2.1734	2.1734	1.0921	1.0910	1.0910
H7	1.0869	2.1305	3.2777	2.5733	4.4871	5.6574		1.7857	1.7857	4.6773	4.6773	6.5728	5.7953	5.7953
H8	1.0910	2.1386	2.6185	3.1166	3.9871	4.8149	1.7857		1.7602	4.2039	4.5581	5.8272	4.9803	4.6569
H9	1.0910	2.1386	2.6185	3.1166	3.9871	4.8149	1.7857	1.7602		4.5581	4.2039	5.8272	4.6569	4.9803
H10	4.0173	2.6265	2.0728	2.6099	1.0915	2.1734	4.6773	4.2039	4.5581		1.7627	2.5149	3.0763	2.5185
H11	4.0173	2.6265	2.0728	2.6099	1.0915	2.1734	4.6773	4.5581	4.2039	1.7627		2.5149	2.5185	3.0763
H12	5.6896	4.4814	3.3369	4.7683	2.1459	1.0921	6.5728	5.8272	5.8272	2.5149	2.5149		1.7716	1.7716
H13	4.8093	3.9175	2.6375	4.5590	2.1560	1.0910	5.7953	4.9803	4.6569	3.0763	2.5185	1.7716		1.7706
H14	4.8093	3.9175	2.6375	4.5590	2.1560	1.0910	5.7953	4.6569	4.9803	2.5185	3.0763	1.7716	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.694	C1	C2	O4	125.753
C2	C1	H7	109.392	C2	C1	H8	109.792
C2	C1	H9	109.792	C2	O3	C5	115.480
O3	C2	O4	123.553	O3	C5	C6	107.188
O3	C5	H10	108.838	O3	C5	H11	108.838
C5	C6	H12	109.861	C5	C6	H13	110.733
C5	C6	H14	110.733	C6	C5	H10	112.103
C6	C5	H11	112.103	H7	C1	H8	110.150
H7	C1	H9	110.150	H8	C1	H9	107.541
H10	C5	H11	107.692	H12	C6	H13	108.487
H12	C6	H14	108.487	H13	C6	H14	108.475

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G**

States and conformations

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