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	hartrees
Energy at 0K	-268.315832
Energy at 298.15K
HF Energy	-267.971244
Nuclear repulsion energy	177.823863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3141	19.28
2	A'	3084	3084	9.04
3	A'	3075	3075	58.43
4	A'	3067	3067	14.24
5	A'	1777	1777	303.58
6	A'	1532	1532	7.80
7	A'	1513	1513	2.54
8	A'	1438	1438	13.91
9	A'	1409	1409	0.39
10	A'	1405	1405	4.95
11	A'	1212	1212	408.96
12	A'	1143	1143	8.97
13	A'	1040	1040	19.24
14	A'	861	861	13.47
15	A'	789	789	1.55
16	A'	382	382	5.08
17	A'	228	228	7.18
18	A"	3151	3151	31.93
19	A"	3124	3124	2.60
20	A"	1501	1501	6.31
21	A"	1310	1310	1.39
22	A"	1191	1191	3.92
23	A"	1047	1047	0.00
24	A"	819	819	0.60
25	A"	348	348	20.44
26	A"	239	239	2.24
27	A"	64	64	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	-2.176	-0.272	0.000
C2	-0.697	-0.569	0.000
O3	0.000	0.699	0.000
C4	1.336	0.626	0.000
O5	1.988	-0.383	0.000
H6	-2.737	-1.205	0.000
H7	-2.457	0.298	0.883
H8	-2.457	0.298	-0.883
H9	-0.391	-1.132	-0.879
H10	-0.391	-1.132	0.879
H11	1.751	1.638	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5086	2.3830	3.6253	4.1660	1.0883	1.0874	1.0874	2.1678	2.1678	4.3673
C2	1.5086		1.4473	2.3588	2.6919	2.1360	2.1513	2.1513	1.0876	1.0876	3.2966
O3	2.3830	1.4473		1.3380	2.2638	3.3337	2.6416	2.6416	2.0679	2.0679	1.9871
C4	3.6253	2.3588	1.3380		1.2021	4.4653	3.9084	3.9084	2.6163	2.6163	1.0937
O5	4.1660	2.6919	2.2638	1.2021		4.7957	4.5831	4.5831	2.6443	2.6443	2.0355
H6	1.0883	2.1360	3.3337	4.4653	4.7957		1.7648	1.7648	2.5062	2.5062	5.3125
H7	1.0874	2.1513	2.6416	3.9084	4.5831	1.7648		1.7655	3.0686	2.5124	4.5041
H8	1.0874	2.1513	2.6416	3.9084	4.5831	1.7648	1.7655		2.5124	3.0686	4.5041
H9	2.1678	1.0876	2.0679	2.6163	2.6443	2.5062	3.0686	2.5124		1.7584	3.6100
H10	2.1678	1.0876	2.0679	2.6163	2.6443	2.5062	2.5124	3.0686	1.7584		3.6100
H11	4.3673	3.2966	1.9871	1.0937	2.0355	5.3125	4.5041	4.5041	3.6100	3.6100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.434	C1	C2	H9	112.218
C1	C2	H10	112.218	C2	C1	H6	109.622
C2	C1	H7	110.885	C2	C1	H8	110.885
C2	O3	C4	115.691	O3	C2	H9	108.496
O3	C2	H10	108.496	O3	C4	O5	125.969
O3	C4	H11	109.195	O5	C4	H11	124.836
H6	C1	H7	108.418	H6	C1	H8	108.418
H7	C1	H8	108.540	H9	C2	H10	107.866

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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/Def2TZVPP

States and conformations

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