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	hartrees
Energy at 0K	-51.742537
Energy at 298.15K	-51.749568
HF Energy	-51.223270
Nuclear repulsion energy	96.556238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	3026	43.35
2	A'	3089	3015	33.75
3	A'	3018	2946	18.04
4	A'	2984	2913	23.57
5	A'	1577	1539	227.44
6	A'	1535	1498	21.17
7	A'	1521	1484	3.80
8	A'	1459	1424	16.13
9	A'	1411	1377	27.45
10	A'	1373	1340	7.97
11	A'	1135	1108	7.17
12	A'	1118	1091	431.69
13	A'	1020	995	8.01
14	A'	795	776	17.74
15	A'	730	713	2.40
16	A'	358	350	5.14
17	A'	210	205	7.34
18	A"	3114	3039	56.53
19	A"	3088	3014	2.71
20	A"	1513	1476	6.60
21	A"	1281	1250	0.14
22	A"	1181	1153	6.71
23	A"	972	949	1.18
24	A"	818	798	0.25
25	A"	323	315	32.75
26	A"	228	222	3.24
27	A"	57	56	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	-2.246	-0.236	0.000
C2	-0.746	-0.599	0.000
O3	0.000	0.720	0.000
C4	1.397	0.640	0.000
O5	2.060	-0.433	0.000
H6	-2.846	-1.162	0.000
H7	-2.499	0.351	0.895
H8	-2.499	0.351	-0.895
H9	-0.440	-1.158	-0.897
H10	-0.440	-1.158	0.897
H11	1.819	1.653	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5423	2.4410	3.7463	4.3099	1.1033	1.1004	1.1004	2.2170	2.2170	4.4829
C2	1.5423		1.5155	2.4751	2.8110	2.1738	2.1853	2.1853	1.1011	1.1011	3.4138
O3	2.4410	1.5155		1.3991	2.3609	3.4123	2.6805	2.6805	2.1281	2.1281	2.0446
C4	3.7463	2.4751	1.3991		1.2614	4.6094	4.0080	4.0080	2.7225	2.7225	1.0981
O5	4.3099	2.8110	2.3609	1.2614		4.9595	4.7118	4.7118	2.7532	2.7532	2.1003
H6	1.1033	2.1738	3.4123	4.6094	4.9595		1.7919	1.7919	2.5676	2.5676	5.4491
H7	1.1004	2.1853	2.6805	4.0080	4.7118	1.7919		1.7908	3.1195	2.5530	4.5990
H8	1.1004	2.1853	2.6805	4.0080	4.7118	1.7919	1.7908		2.5530	3.1195	4.5990
H9	2.2170	1.1011	2.1281	2.7225	2.7532	2.5676	3.1195	2.5530		1.7944	3.7170
H10	2.2170	1.1011	2.1281	2.7225	2.7532	2.5676	2.5530	3.1195	1.7944		3.7170
H11	4.4829	3.4138	2.0446	1.0981	2.1003	5.4491	4.5990	4.5990	3.7170	3.7170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.930	C1	C2	H9	112.943
C1	C2	H10	112.943	C2	C1	H6	109.380
C2	C1	H7	110.446	C2	C1	H8	110.446
C2	O3	C4	116.198	O3	C2	H9	107.792
O3	C2	H10	107.792	O3	C4	O5	125.020
O3	C4	H11	109.334	O5	C4	H11	125.646
H6	C1	H7	108.802	H6	C1	H8	108.802
H7	C1	H8	108.925	H9	C2	H10	109.146

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

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

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