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	hartrees
Energy at 0K	-267.785978
Energy at 298.15K	-267.793224
HF Energy	-266.921539
Nuclear repulsion energy	177.930199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3010	24.92
2	A'	3118	2976	51.13
3	A'	3098	2957	16.25
4	A'	3076	2936	15.68
5	A'	1832	1748	323.00
6	A'	1550	1480	7.97
7	A'	1529	1459	2.49
8	A'	1470	1403	17.96
9	A'	1455	1388	2.10
10	A'	1430	1365	2.16
11	A'	1252	1194	442.87
12	A'	1162	1109	6.57
13	A'	1064	1015	14.23
14	A'	889	848	14.93
15	A'	807	770	2.38
16	A'	391	373	5.49
17	A'	237	226	7.06
18	A"	3166	3022	40.71
19	A"	3140	2997	3.35
20	A"	1508	1439	4.90
21	A"	1323	1263	1.67
22	A"	1212	1157	4.11
23	A"	1059	1011	0.20
24	A"	832	794	0.02
25	A"	334	319	23.76
26	A"	239	228	2.60
27	A"	67	64	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-2.175	-0.270	0.000
C2	-0.692	-0.565	0.000
O3	0.000	0.702	0.000
C4	1.335	0.624	0.000
O5	1.981	-0.388	0.000
H6	-2.733	-1.208	0.000
H7	-2.455	0.300	0.887
H8	-2.455	0.300	-0.887
H9	-0.389	-1.131	-0.883
H10	-0.389	-1.131	0.883
H11	1.760	1.633	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5126	2.3822	3.6224	4.1577	1.0919	1.0907	1.0907	2.1700	2.1700	4.3705
C2	1.5126		1.4435	2.3502	2.6785	2.1406	2.1549	2.1549	1.0911	1.0911	3.2925
O3	2.3822	1.4435		1.3376	2.2610	3.3346	2.6406	2.6406	2.0708	2.0708	1.9908
C4	3.6224	2.3502	1.3376		1.2007	4.4623	3.9058	3.9058	2.6140	2.6140	1.0943
O5	4.1577	2.6785	2.2610	1.2007		4.7852	4.5754	4.5754	2.6361	2.6361	2.0332
H6	1.0919	2.1406	3.3346	4.4623	4.7852		1.7719	1.7719	2.5061	2.5061	5.3159
H7	1.0907	2.1549	2.6406	3.9058	4.5754	1.7719		1.7738	3.0732	2.5123	4.5079
H8	1.0907	2.1549	2.6406	3.9058	4.5754	1.7719	1.7738		2.5123	3.0732	4.5079
H9	2.1700	1.0911	2.0708	2.6140	2.6361	2.5061	3.0732	2.5123		1.7661	3.6102
H10	2.1700	1.0911	2.0708	2.6140	2.6361	2.5061	2.5123	3.0732	1.7661		3.6102
H11	4.3705	3.2925	1.9908	1.0943	2.0332	5.3159	4.5079	4.5079	3.6102	3.6102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.362	C1	C2	H9	111.893
C1	C2	H10	111.893	C2	C1	H6	109.495
C2	C1	H7	110.698	C2	C1	H8	110.698
C2	O3	C4	115.301	O3	C2	H9	108.777
O3	C2	H10	108.777	O3	C4	O5	125.854
O3	C4	H11	109.481	O5	C4	H11	124.666
H6	C1	H7	108.544	H6	C1	H8	108.544
H7	C1	H8	108.806	H9	C2	H10	108.058

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)

using model chemistry: CCSD/TZVP

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 HCOOC2H5 (Ethyl formate)

using model chemistry: CCSD/TZVP

States and conformations

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)