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	hartrees
Energy at 0K	-267.567328
Energy at 298.15K	-267.574582
HF Energy	-266.825267
Nuclear repulsion energy	177.222288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3028	14.86
2	A'	3137	2958	52.17
3	A'	3132	2954	19.74
4	A'	3120	2943	10.69
5	A'	1810	1707	244.50
6	A'	1579	1489	6.91
7	A'	1562	1473	2.98
8	A'	1482	1398	18.47
9	A'	1434	1353	1.63
10	A'	1432	1350	5.89
11	A'	1249	1177	404.74
12	A'	1172	1105	8.02
13	A'	1073	1011	15.52
14	A'	883	833	11.61
15	A'	796	751	3.42
16	A'	389	367	6.22
17	A'	235	221	7.13
18	A"	3225	3041	22.45
19	A"	3188	3007	10.58
20	A"	1551	1463	6.07
21	A"	1331	1256	0.48
22	A"	1222	1152	5.12
23	A"	1046	987	0.11
24	A"	838	791	0.58
25	A"	355	335	21.86
26	A"	253	239	2.92
27	A"	71	67	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	-2.176	-0.245	0.000
C2	-0.699	-0.561	0.000
O3	0.000	0.711	0.000
C4	1.343	0.612	0.000
O5	1.981	-0.423	0.000
H6	-2.754	-1.173	0.000
H7	-2.445	0.333	0.887
H8	-2.445	0.333	-0.887
H9	-0.395	-1.128	-0.884
H10	-0.395	-1.128	0.884
H11	1.779	1.620	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5111	2.3771	3.6221	4.1612	1.0936	1.0919	1.0919	2.1761	2.1761	4.3727
C2	1.5111		1.4516	2.3546	2.6833	2.1449	2.1530	2.1530	1.0933	1.0933	3.3008
O3	2.3771	1.4516		1.3466	2.2828	3.3374	2.6286	2.6286	2.0787	2.0787	1.9974
C4	3.6221	2.3546	1.3466		1.2159	4.4693	3.9007	3.9007	2.6132	2.6132	1.0983
O5	4.1612	2.6833	2.2828	1.2159		4.7944	4.5771	4.5771	2.6311	2.6311	2.0531
H6	1.0936	2.1449	3.3374	4.4693	4.7944		1.7745	1.7745	2.5201	2.5201	5.3246
H7	1.0919	2.1530	2.6286	3.9007	4.5771	1.7745		1.7738	3.0780	2.5176	4.5041
H8	1.0919	2.1530	2.6286	3.9007	4.5771	1.7745	1.7738		2.5176	3.0780	4.5041
H9	2.1761	1.0933	2.0787	2.6132	2.6311	2.5201	3.0780	2.5176		1.7676	3.6136
H10	2.1761	1.0933	2.0787	2.6132	2.6311	2.5201	2.5176	3.0780	1.7676		3.6136
H11	4.3727	3.3008	1.9974	1.0983	2.0531	5.3246	4.5041	4.5041	3.6136	3.6136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.694	C1	C2	H9	112.361
C1	C2	H10	112.361	C2	C1	H6	109.833
C2	C1	H7	110.580	C2	C1	H8	110.580
C2	O3	C4	114.538	O3	C2	H9	108.720
O3	C2	H10	108.720	O3	C4	O5	125.887
O3	C4	H11	109.146	O5	C4	H11	124.967
H6	C1	H7	108.579	H6	C1	H8	108.579
H7	C1	H8	108.634	H9	C2	H10	107.880

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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