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	hartrees
Energy at 0K	-267.680547
Energy at 298.15K	-267.687810
HF Energy	-266.847085
Nuclear repulsion energy	177.318139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3167	21.25
2	A'	3101	3101	58.95
3	A'	3093	3093	23.99
4	A'	3078	3078	17.48
5	A'	1857	1857	284.18
6	A'	1526	1526	6.06
7	A'	1502	1502	1.96
8	A'	1445	1445	18.36
9	A'	1419	1419	2.14
10	A'	1398	1398	2.09
11	A'	1252	1252	425.67
12	A'	1150	1150	8.50
13	A'	1070	1070	15.01
14	A'	884	884	11.70
15	A'	802	802	3.86
16	A'	387	387	6.27
17	A'	237	237	6.13
18	A"	3174	3174	33.69
19	A"	3141	3141	11.81
20	A"	1487	1487	4.98
21	A"	1307	1307	1.52
22	A"	1193	1193	4.55
23	A"	1063	1063	0.36
24	A"	816	816	0.20
25	A"	345	345	20.05
26	A"	246	246	2.70
27	A"	76	76	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-2.178	-0.260	0.000
C2	-0.690	-0.561	0.000
O3	0.000	0.709	0.000
C4	1.341	0.617	0.000
O5	1.978	-0.406	0.000
H6	-2.752	-1.202	0.000
H7	-2.457	0.321	0.895
H8	-2.457	0.321	-0.895
H9	-0.385	-1.137	-0.890
H10	-0.385	-1.137	0.890
H11	1.773	1.637	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5185	2.3837	3.6261	4.1587	1.1032	1.1026	1.1026	2.1854	2.1854	4.3828
C2	1.5185		1.4445	2.3467	2.6722	2.1595	2.1681	2.1681	1.1033	1.1033	3.3006
O3	2.3837	1.4445		1.3437	2.2705	3.3501	2.6432	2.6432	2.0849	2.0849	2.0013
C4	3.6261	2.3467	1.3437		1.2051	4.4781	3.9124	3.9124	2.6163	2.6163	1.1085
O5	4.1587	2.6722	2.2705	1.2051		4.7962	4.5823	4.5823	2.6291	2.6291	2.0535
H6	1.1032	2.1595	3.3501	4.4781	4.7962		1.7912	1.7912	2.5292	2.5292	5.3417
H7	1.1026	2.1681	2.6432	3.9124	4.5823	1.7912		1.7894	3.0989	2.5331	4.5191
H8	1.1026	2.1681	2.6432	3.9124	4.5823	1.7912	1.7894		2.5331	3.0989	4.5191
H9	2.1854	1.1033	2.0849	2.6163	2.6291	2.5292	3.0989	2.5331		1.7807	3.6257
H10	2.1854	1.1033	2.0849	2.6163	2.6291	2.5292	2.5331	3.0989	1.7807		3.6257
H11	4.3828	3.3006	2.0013	1.1085	2.0535	5.3417	4.5191	4.5191	3.6257	3.6257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.096	C1	C2	H9	111.949
C1	C2	H10	111.949	C2	C1	H6	109.904
C2	C1	H7	110.615	C2	C1	H8	110.615
C2	O3	C4	114.586	O3	C2	H9	109.097
O3	C2	H10	109.097	O3	C4	O5	125.873
O3	C4	H11	109.027	O5	C4	H11	125.100
H6	C1	H7	108.591	H6	C1	H8	108.591
H7	C1	H8	108.466	H9	C2	H10	107.601

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

using model chemistry: CCSD=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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