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	hartrees
Energy at 0K	-267.769597
Energy at 298.15K	-267.776849
HF Energy	-266.855536
Nuclear repulsion energy	178.192960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3036	9.76
2	A'	3127	2953	9.45
3	A'	3118	2945	7.82
4	A'	3111	2938	53.36
5	A'	1813	1712	244.21
6	A'	1547	1461	8.42
7	A'	1527	1442	2.49
8	A'	1443	1363	14.64
9	A'	1420	1341	1.38
10	A'	1407	1329	2.19
11	A'	1244	1175	382.90
12	A'	1152	1088	8.19
13	A'	1066	1007	16.07
14	A'	880	831	8.13
15	A'	799	755	3.23
16	A'	383	362	5.92
17	A'	233	220	6.54
18	A"	3224	3045	14.70
19	A"	3183	3006	7.97
20	A"	1516	1432	5.48
21	A"	1315	1242	1.15
22	A"	1201	1134	4.32
23	A"	1062	1004	0.08
24	A"	819	773	0.88
25	A"	358	338	18.62
26	A"	247	233	2.03
27	A"	71	67	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	-2.166	-0.250	0.000
C2	-0.686	-0.556	0.000
O3	0.000	0.712	0.000
C4	1.334	0.608	0.000
O5	1.965	-0.419	0.000
H6	-2.737	-1.180	0.000
H7	-2.440	0.324	0.885
H8	-2.440	0.324	-0.885
H9	-0.381	-1.122	-0.881
H10	-0.381	-1.122	0.881
H11	1.768	1.616	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5113	2.3706	3.6044	4.1352	1.0908	1.0898	1.0898	2.1739	2.1739	4.3546
C2	1.5113		1.4416	2.3316	2.6552	2.1440	2.1521	2.1521	1.0915	1.0915	3.2771
O3	2.3706	1.4416		1.3383	2.2676	3.3276	2.6239	2.6239	2.0707	2.0707	1.9856
C4	3.6044	2.3316	1.3383		1.2055	4.4468	3.8865	3.8865	2.5909	2.5909	1.0973
O5	4.1352	2.6552	2.2676	1.2055		4.7639	4.5540	4.5540	2.6031	2.6031	2.0445
H6	1.0908	2.1440	3.3276	4.4468	4.7639		1.7702	1.7702	2.5167	2.5167	5.3023
H7	1.0898	2.1521	2.6239	3.8865	4.5540	1.7702		1.7694	3.0743	2.5164	4.4894
H8	1.0898	2.1521	2.6239	3.8865	4.5540	1.7702	1.7694		2.5164	3.0743	4.4894
H9	2.1739	1.0915	2.0707	2.5909	2.6031	2.5167	3.0743	2.5164		1.7627	3.5907
H10	2.1739	1.0915	2.0707	2.5909	2.6031	2.5167	2.5164	3.0743	1.7627		3.5907
H11	4.3546	3.2771	1.9856	1.0973	2.0445	5.3023	4.4894	4.4894	3.5907	3.5907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.774	C1	C2	H9	112.273
C1	C2	H10	112.273	C2	C1	H6	109.909
C2	C1	H7	110.613	C2	C1	H8	110.613
C2	O3	C4	113.966	O3	C2	H9	108.874
O3	C2	H10	108.874	O3	C4	O5	126.034
O3	C4	H11	108.824	O5	C4	H11	125.142
H6	C1	H7	108.548	H6	C1	H8	108.548
H7	C1	H8	108.552	H9	C2	H10	107.691

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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