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	hartrees
Energy at 0K	-267.933355
Energy at 298.15K
HF Energy	-267.750159
Nuclear repulsion energy	174.284438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3158	14.58
2	A'	3158	3158	55.05
3	A'	3101	3101	10.54
4	A'	3079	3079	15.34
5	A'	1670	1670	216.18
6	A'	1574	1574	11.38
7	A'	1562	1562	4.56
8	A'	1484	1484	10.15
9	A'	1431	1431	14.44
10	A'	1405	1405	12.67
11	A'	1165	1165	372.89
12	A'	1163	1163	17.19
13	A'	1045	1045	14.88
14	A'	815	815	15.08
15	A'	764	764	1.16
16	A'	372	372	6.65
17	A'	214	214	7.85
18	A"	3178	3178	38.38
19	A"	3151	3151	3.82
20	A"	1550	1550	7.02
21	A"	1320	1320	0.07
22	A"	1205	1205	7.04
23	A"	1018	1018	0.03
24	A"	847	847	0.97
25	A"	338	338	30.68
26	A"	233	233	2.94
27	A"	49	49	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	-2.213	-0.251	0.000
C2	-0.735	-0.596	0.000
O3	0.000	0.702	0.000
C4	1.370	0.640	0.000
O5	2.039	-0.401	0.000
H6	-2.809	-1.170	0.000
H7	-2.474	0.332	0.887
H8	-2.474	0.332	-0.887
H9	-0.431	-1.158	-0.886
H10	-0.431	-1.158	0.886
H11	1.779	1.652	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5175	2.4098	3.6924	4.2552	1.0951	1.0931	1.0931	2.1877	2.1877	4.4225
C2	1.5175		1.4917	2.4413	2.7816	2.1517	2.1613	2.1613	1.0931	1.0931	3.3725
O3	2.4098	1.4917		1.3714	2.3183	3.3756	2.6542	2.6542	2.1053	2.1053	2.0166
C4	3.6924	2.4413	1.3714		1.2375	4.5542	3.9571	3.9571	2.6950	2.6950	1.0912
O5	4.2552	2.7816	2.3183	1.2375		4.9090	4.6578	4.6578	2.7315	2.7315	2.0689
H6	1.0951	2.1517	3.3756	4.5542	4.9090		1.7762	1.7762	2.5381	2.5381	5.3863
H7	1.0931	2.1613	2.6542	3.9571	4.6578	1.7762		1.7738	3.0889	2.5293	4.5406
H8	1.0931	2.1613	2.6542	3.9571	4.6578	1.7762	1.7738		2.5293	3.0889	4.5406
H9	2.1877	1.0931	2.1053	2.6950	2.7315	2.5381	3.0889	2.5293		1.7726	3.6831
H10	2.1877	1.0931	2.1053	2.6950	2.7315	2.5381	2.5293	3.0889	1.7726		3.6831
H11	4.4225	3.3725	2.0166	1.0912	2.0689	5.3863	4.5406	4.5406	3.6831	3.6831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.406	C1	C2	H9	112.849
C1	C2	H10	112.849	C2	C1	H6	109.830
C2	C1	H7	110.712	C2	C1	H8	110.712
C2	O3	C4	116.950	O3	C2	H9	108.082
O3	C2	H10	108.082	O3	C4	O5	125.331
O3	C4	H11	109.426	O5	C4	H11	125.242
H6	C1	H7	108.531	H6	C1	H8	108.531
H7	C1	H8	108.461	H9	C2	H10	108.359

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G

States and conformations

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