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	hartrees
Energy at 0K	-52.059934
Energy at 298.15K	-52.067139
HF Energy	-51.352179
Nuclear repulsion energy	98.522474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3038	28.32
2	A'	3134	2976	56.00
3	A'	3127	2969	29.60
4	A'	3102	2945	19.24
5	A'	1776	1686	313.69
6	A'	1538	1460	7.81
7	A'	1523	1446	2.35
8	A'	1461	1388	23.10
9	A'	1407	1336	5.35
10	A'	1392	1322	1.85
11	A'	1226	1164	413.32
12	A'	1155	1096	7.75
13	A'	1054	1001	18.70
14	A'	869	825	13.03
15	A'	778	738	2.04
16	A'	377	358	6.27
17	A'	230	218	7.15
18	A"	3216	3054	50.35
19	A"	3193	3031	4.58
20	A"	1514	1438	6.30
21	A"	1315	1248	0.33
22	A"	1198	1137	6.31
23	A"	1022	970	0.48
24	A"	821	779	0.85
25	A"	347	329	25.39
26	A"	247	234	3.49
27	A"	84	80	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-2.199	-0.245	0.000
C2	-0.702	-0.569	0.000
O3	0.000	0.719	0.000
C4	1.353	0.618	0.000
O5	2.000	-0.428	0.000
H6	-2.778	-1.187	0.000
H7	-2.469	0.336	0.897
H8	-2.469	0.336	-0.897
H9	-0.393	-1.134	-0.895
H10	-0.393	-1.134	0.895
H11	1.791	1.633	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5323	2.4016	3.6555	4.2030	1.1046	1.1028	1.1028	2.2034	2.2034	4.4104
C2	1.5323		1.4666	2.3723	2.7048	2.1661	2.1788	2.1788	1.1029	1.1029	3.3258
O3	2.4016	1.4666		1.3567	2.3057	3.3686	2.6545	2.6545	2.0954	2.0954	2.0106
C4	3.6555	2.3723	1.3567		1.2300	4.5073	3.9356	3.9356	2.6300	2.6300	1.1062
O5	4.2030	2.7048	2.3057	1.2300		4.8371	4.6214	4.6214	2.6500	2.6500	2.0725
H6	1.1046	2.1661	3.3686	4.5073	4.8371		1.7944	1.7944	2.5479	2.5479	5.3687
H7	1.1028	2.1788	2.6545	3.9356	4.6214	1.7944		1.7943	3.1121	2.5441	4.5422
H8	1.1028	2.1788	2.6545	3.9356	4.6214	1.7944	1.7943		2.5441	3.1121	4.5422
H9	2.2034	1.1029	2.0954	2.6300	2.6500	2.5479	3.1121	2.5441		1.7905	3.6371
H10	2.2034	1.1029	2.0954	2.6300	2.6500	2.5479	2.5441	3.1121	1.7905		3.6371
H11	4.4104	3.3258	2.0106	1.1062	2.0725	5.3687	4.5422	4.5422	3.6371	3.6371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.400	C1	C2	H9	112.445
C1	C2	H10	112.445	C2	C1	H6	109.394
C2	C1	H7	110.497	C2	C1	H8	110.497
C2	O3	C4	114.277	O3	C2	H9	108.438
O3	C2	H10	108.438	O3	C4	O5	126.027
O3	C4	H11	109.025	O5	C4	H11	124.948
H6	C1	H7	108.761	H6	C1	H8	108.761
H7	C1	H8	108.890	H9	C2	H10	108.519

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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