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	hartrees
Energy at 0K	-263.652136
Energy at 298.15K	-263.658980
HF Energy	-263.376279
Nuclear repulsion energy	173.064527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3167	0.98
2	A'	3382	3007	1.09
3	A'	3353	2980	4.38
4	A'	3347	2976	22.06
5	A'	1810	1609	104.83
6	A'	1733	1540	4.59
7	A'	1707	1518	5.93
8	A'	1615	1435	1.23
9	A'	1531	1361	45.40
10	A'	1470	1307	7.78
11	A'	1298	1154	101.87
12	A'	1219	1084	32.63
13	A'	1137	1011	25.41
14	A'	961	854	7.68
15	A'	767	681	7.36
16	A'	380	338	2.97
17	A'	234	208	2.81
18	A"	3567	3171	1.46
19	A"	3459	3075	7.63
20	A"	1719	1528	1.22
21	A"	1406	1249	0.13
22	A"	1265	1125	7.02
23	A"	961	854	0.07
24	A"	884	786	0.20
25	A"	315	280	9.64
26	A"	205	182	0.46
27	A"	61	54	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-2.224	-0.233	0.000
C2	-0.692	-0.516	0.000
O3	0.000	0.786	0.000
C4	1.399	0.589	0.000
O5	1.978	-0.525	0.000
H6	-2.780	-1.186	0.000
H7	-2.510	0.343	0.896
H8	-2.510	0.343	-0.896
H9	-0.406	-1.113	-0.896
H10	-0.406	-1.113	0.896
H11	1.889	1.597	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5580	2.4465	3.7152	4.2129	1.1031	1.1028	1.1028	2.2100	2.2100	4.5018
C2	1.5580		1.4737	2.3646	2.6706	2.1929	2.2011	2.2011	1.1144	1.1144	3.3353
O3	2.4465	1.4737		1.4126	2.3730	3.4082	2.7016	2.7016	2.1380	2.1380	2.0557
C4	3.7152	2.3646	1.4126		1.2554	4.5401	4.0177	4.0177	2.6372	2.6372	1.1211
O5	4.2129	2.6706	2.3730	1.2554		4.8041	4.6586	4.6586	2.6141	2.6141	2.1240
H6	1.1031	2.1929	3.4082	4.5401	4.8041		1.7927	1.7927	2.5388	2.5388	5.4353
H7	1.1028	2.2011	2.7016	4.0177	4.6586	1.7927		1.7913	3.1239	2.5589	4.6608
H8	1.1028	2.2011	2.7016	4.0177	4.6586	1.7927	1.7913		2.5589	3.1239	4.6608
H9	2.2100	1.1144	2.1380	2.6372	2.6141	2.5388	3.1239	2.5589		1.7926	3.6621
H10	2.2100	1.1144	2.1380	2.6372	2.6141	2.5388	2.5589	3.1239	1.7926		3.6621
H11	4.5018	3.3353	2.0557	1.1211	2.1240	5.4353	4.6608	4.6608	3.6621	3.6621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.567	C1	C2	H9	110.477
C1	C2	H10	110.477	C2	C1	H6	109.801
C2	C1	H7	110.462	C2	C1	H8	110.462
C2	O3	C4	110.006	O3	C2	H9	110.633
O3	C2	H10	110.633	O3	C4	O5	125.501
O3	C4	H11	107.902	O5	C4	H11	126.597
H6	C1	H7	108.722	H6	C1	H8	108.722
H7	C1	H8	108.625	H9	C2	H10	107.082

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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