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	hartrees
Energy at 0K	-266.819921
Energy at 298.15K	-266.827041
HF Energy	-266.819921
Nuclear repulsion energy	175.872992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3170	14.10
2	A'	3119	3119	58.00
3	A'	3107	3107	9.98
4	A'	3093	3093	9.38
5	A'	1776	1776	206.51
6	A'	1577	1577	12.75
7	A'	1567	1567	5.55
8	A'	1475	1475	17.26
9	A'	1425	1425	6.56
10	A'	1416	1416	3.19
11	A'	1209	1209	377.10
12	A'	1157	1157	8.95
13	A'	1040	1040	14.45
14	A'	854	854	8.04
15	A'	794	794	3.71
16	A'	373	373	9.31
17	A'	220	220	7.64
18	A"	3182	3182	23.97
19	A"	3151	3151	5.28
20	A"	1558	1558	9.12
21	A"	1327	1327	0.00
22	A"	1200	1200	7.46
23	A"	1058	1058	0.07
24	A"	852	852	2.65
25	A"	339	339	28.14
26	A"	228	228	2.56
27	A"	41	41	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-2.192	-0.254	0.000
C2	-0.709	-0.589	0.000
O3	0.000	0.708	0.000
C4	1.358	0.633	0.000
O5	1.999	-0.404	0.000
H6	-2.783	-1.174	0.000
H7	-2.444	0.331	0.888
H8	-2.444	0.331	-0.888
H9	-0.412	-1.155	-0.886
H10	-0.412	-1.155	0.886
H11	1.766	1.647	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5206	2.3943	3.6595	4.1938	1.0938	1.0926	1.0926	2.1832	2.1832	4.3915
C2	1.5206		1.4789	2.4016	2.7142	2.1551	2.1550	2.1550	1.0928	1.0928	3.3361
O3	2.3943	1.4789		1.3601	2.2874	3.3604	2.6273	2.6273	2.1047	2.1047	2.0002
C4	3.6595	2.4016	1.3601		1.2191	4.5186	3.9158	3.9158	2.6682	2.6682	1.0930
O5	4.1938	2.7142	2.2874	1.2191		4.8438	4.5896	4.5896	2.6767	2.6767	2.0641
H6	1.0938	2.1551	3.3604	4.5186	4.8438		1.7804	1.7804	2.5312	2.5312	5.3535
H7	1.0926	2.1550	2.6273	3.9158	4.5896	1.7804		1.7757	3.0795	2.5171	4.4995
H8	1.0926	2.1550	2.6273	3.9158	4.5896	1.7804	1.7757		2.5171	3.0795	4.4995
H9	2.1832	1.0928	2.1047	2.6682	2.6767	2.5312	3.0795	2.5171		1.7727	3.6588
H10	2.1832	1.0928	2.1047	2.6682	2.6767	2.5312	2.5171	3.0795	1.7727		3.6588
H11	4.3915	3.3361	2.0002	1.0930	2.0641	5.3535	4.4995	4.4995	3.6588	3.6588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.915	C1	C2	H9	112.275
C1	C2	H10	112.275	C2	C1	H6	109.964
C2	C1	H7	110.032	C2	C1	H8	110.032
C2	O3	C4	115.483	O3	C2	H9	108.932
O3	C2	H10	108.932	O3	C4	O5	124.881
O3	C4	H11	108.766	O5	C4	H11	126.353
H6	C1	H7	109.036	H6	C1	H8	109.036
H7	C1	H8	108.712	H9	C2	H10	108.407

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

using model chemistry: wB97X-D/3-21G

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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Number	Element	Mulliken
1	C	-0.638
2	C	-0.194
3	O	-0.514
4	C	0.443
5	O	-0.479
6	H	0.216
7	H	0.232
8	H	0.232
9	H	0.238
10	H	0.238
11	H	0.227

	x	y	z	Total
	-1.847	0.386	0.000	1.887
CHELPG
AIM
ESP

	x	y	z
x	6.384	0.269	0.000
y	0.269	5.132	0.000
z	0.000	0.000	3.703

<r²>	137.151
(<r²>)^1/2	11.711

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

using model chemistry: wB97X-D/3-21G

States and conformations

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