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	hartrees
Energy at 0K	-268.394473
Energy at 298.15K	-268.401655
HF Energy	-268.394473
Nuclear repulsion energy	178.381699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3137	18.55
2	A'	3067	3067	8.94
3	A'	3058	3058	56.02
4	A'	3055	3055	15.54
5	A'	1834	1834	359.42
6	A'	1520	1520	10.01
7	A'	1502	1502	2.69
8	A'	1436	1436	13.58
9	A'	1409	1409	1.13
10	A'	1400	1400	0.29
11	A'	1255	1255	425.13
12	A'	1144	1144	9.85
13	A'	1052	1052	21.50
14	A'	877	877	11.48
15	A'	803	803	2.33
16	A'	388	388	5.72
17	A'	230	230	7.64
18	A"	3140	3140	30.42
19	A"	3109	3109	3.90
20	A"	1492	1492	7.38
21	A"	1307	1307	1.52
22	A"	1183	1183	4.08
23	A"	1046	1046	0.03
24	A"	813	813	0.86
25	A"	342	342	21.24
26	A"	228	228	2.59
27	A"	56	56	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-2.172	-0.288	0.000
C2	-0.690	-0.570	0.000
O3	0.000	0.691	0.000
C4	1.326	0.635	0.000
O5	1.985	-0.363	0.000
H6	-2.721	-1.230	0.000
H7	-2.461	0.278	0.885
H8	-2.461	0.278	-0.885
H9	-0.382	-1.134	-0.881
H10	-0.382	-1.134	0.881
H11	1.737	1.653	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5088	2.3824	3.6179	4.1577	1.0901	1.0895	1.0895	2.1669	2.1669	4.3643
C2	1.5088		1.4372	2.3484	2.6827	2.1356	2.1544	2.1544	1.0906	1.0906	3.2906
O3	2.3824	1.4372		1.3276	2.2478	3.3305	2.6480	2.6480	2.0629	2.0629	1.9856
C4	3.6179	2.3484	1.3276		1.1959	4.4559	3.9061	3.9061	2.6128	2.6128	1.0975
O5	4.1577	2.6827	2.2478	1.1959		4.7849	4.5789	4.5789	2.6412	2.6412	2.0309
H6	1.0901	2.1356	3.3305	4.4559	4.7849		1.7675	1.7675	2.5006	2.5006	5.3086
H7	1.0895	2.1544	2.6480	3.9061	4.5789	1.7675		1.7693	3.0719	2.5138	4.5056
H8	1.0895	2.1544	2.6480	3.9061	4.5789	1.7675	1.7693		2.5138	3.0719	4.5056
H9	2.1669	1.0906	2.0629	2.6128	2.6412	2.5006	3.0719	2.5138		1.7619	3.6106
H10	2.1669	1.0906	2.0629	2.6128	2.6412	2.5006	2.5138	3.0719	1.7619		3.6106
H11	4.3643	3.2906	1.9856	1.0975	2.0309	5.3086	4.5056	4.5056	3.6106	3.6106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.909	C1	C2	H9	111.931
C1	C2	H10	111.931	C2	C1	H6	109.462
C2	C1	H7	110.987	C2	C1	H8	110.987
C2	O3	C4	116.241	O3	C2	H9	108.615
O3	C2	H10	108.615	O3	C4	O5	125.861
O3	C4	H11	109.558	O5	C4	H11	124.581
H6	C1	H7	108.376	H6	C1	H8	108.376
H7	C1	H8	108.575	H9	C2	H10	107.749

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.479
2	C	0.034
3	O	-0.492
4	C	0.546
5	O	-0.565
6	H	0.154
7	H	0.161
8	H	0.161
9	H	0.169
10	H	0.169
11	H	0.142

	x	y	z	Total
	-2.146	0.597	0.000	2.228
CHELPG
AIM
ESP

	x	y	z
x	8.233	0.178	0.000
y	0.178	6.635	0.000
z	0.000	0.000	5.335

<r²>	135.059
(<r²>)^1/2	11.621

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

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