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	hartrees
Energy at 0K	-268.307967
Energy at 298.15K
HF Energy	-267.957915
Nuclear repulsion energy	177.893306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3138	18.80
2	A'	3080	3080	8.28
3	A'	3072	3072	54.23
4	A'	3064	3064	14.05
5	A'	1779	1779	325.18
6	A'	1534	1534	8.91
7	A'	1516	1516	2.63
8	A'	1438	1438	12.68
9	A'	1409	1409	0.30
10	A'	1405	1405	4.95
11	A'	1218	1218	408.42
12	A'	1143	1143	8.68
13	A'	1040	1040	20.59
14	A'	861	861	13.60
15	A'	790	790	1.29
16	A'	383	383	5.11
17	A'	228	228	7.39
18	A"	3149	3149	30.60
19	A"	3121	3121	2.35
20	A"	1504	1504	6.67
21	A"	1310	1310	1.37
22	A"	1190	1190	3.79
23	A"	1048	1048	0.00
24	A"	819	819	0.64
25	A"	350	350	21.07
26	A"	241	241	2.44
27	A"	68	68	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	-2.176	-0.276	0.000
C2	-0.696	-0.571	0.000
O3	0.000	0.697	0.000
C4	1.334	0.629	0.000
O5	1.989	-0.378	0.000
H6	-2.735	-1.210	0.000
H7	-2.458	0.293	0.883
H8	-2.458	0.293	-0.883
H9	-0.388	-1.133	-0.880
H10	-0.388	-1.133	0.880
H11	1.747	1.643	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5085	2.3831	3.6243	4.1657	1.0886	1.0877	1.0877	2.1685	2.1685	4.3670
C2	1.5085		1.4464	2.3585	2.6921	2.1363	2.1520	2.1520	1.0882	1.0882	3.2974
O3	2.3831	1.4464		1.3354	2.2605	3.3338	2.6431	2.6431	2.0668	2.0668	1.9871
C4	3.6243	2.3585	1.3354		1.2016	4.4651	3.9081	3.9081	2.6164	2.6164	1.0946
O5	4.1657	2.6921	2.2605	1.2016		4.7965	4.5834	4.5834	2.6449	2.6449	2.0351
H6	1.0886	2.1363	3.3338	4.4651	4.7965		1.7648	1.7648	2.5071	2.5071	5.3130
H7	1.0877	2.1520	2.6431	3.9081	4.5834	1.7648		1.7656	3.0700	2.5136	4.5043
H8	1.0877	2.1520	2.6431	3.9081	4.5834	1.7648	1.7656		2.5136	3.0700	4.5043
H9	2.1685	1.0882	2.0668	2.6164	2.6449	2.5071	3.0700	2.5136		1.7595	3.6111
H10	2.1685	1.0882	2.0668	2.6164	2.6449	2.5071	2.5136	3.0700	1.7595		3.6111
H11	4.3670	3.2974	1.9871	1.0946	2.0351	5.3130	4.5043	4.5043	3.6111	3.6111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.489	C1	C2	H9	112.238
C1	C2	H10	112.238	C2	C1	H6	109.624
C2	C1	H7	110.937	C2	C1	H8	110.937
C2	O3	C4	115.893	O3	C2	H9	108.434
O3	C2	H10	108.434	O3	C4	O5	125.923
O3	C4	H11	109.313	O5	C4	H11	124.765
H6	C1	H7	108.376	H6	C1	H8	108.376
H7	C1	H8	108.515	H9	C2	H10	107.887

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

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